SCHEMBL2894380

SCHEMBL2894380

CC1=C(C(=O)OCCO)C(c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 1.00
▸ CYP2C9 P11712 6/20 1.00
▸ CYP3A4 P08684 3/20 0.58
▸ ADRB1 P08588 1/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3707890 1.00 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL14899925 0.93 ELANE (0.89) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL13872092 0.93 ELANE (0.87) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL13872095 0.93 ELANE (0.87) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2894512 0.92 ELANE (0.86) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL1764353 0.92 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL3482731 0.92 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL392232 0.92 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL13872877 0.92 ELANE (0.86) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL2896569 0.91 ELANE (0.83) ELANECYP2C9CYP3A4ADRB1HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11968891-B2 Organic electroluminescence device and heterocyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2024-04-23 — — US disclosed
US-11825744-B2 Organic electroluminescence device and condensed cyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 — — US disclosed
US-11793068-B2 Amine compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-17 — — US disclosed
US-11787822-B2 Aromatic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-17 — — US disclosed
US-11655211-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-23 — — US disclosed
EP-3521280-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-05-10 — — EP disclosed
US-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-31 — — US disclosed
US-11527726-B2 Organic electroluminescence device and compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-13 — — US disclosed
US-11489125-B2 Organic electroluminescence device and monoamine compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2022-11-01 — — US disclosed
US-11335860-B2 Organic electroluminescence device and condensed cyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2022-05-17 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-20100003709-A1 Crystal Structure of Enzyme and Uses Thereof BAYER HEALTHCARE AG (DE) 2010-01-07 — — US disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 — — WO disclosed
EP-1828233-A2 CRYSTAL STRUCTURE OF ENZYME AND USES THEREOF Bayer HealthCare AG (DE) 2007-09-05 — — EP disclosed
US-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 — — US disclosed
WO-2006063792-A2 CRYSTAL STRUCTURE OF ENZYME AND USES THEREOF BAYER HEALTHCARE AG (DE) 2006-06-22 — — WO disclosed
EP-1546113-A1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES Bayer HealthCare AG (DE) 2005-06-29 — — EP disclosed
WO-2004024700-A1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES BAYER HEALTHCARE AG (DE) 2004-03-25 — — WO disclosed
WO-2004024700-A1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES BAYER HEALTHCARE AG (DE) 2004-03-25 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11787822-B2 Aromatic compound and organic electroluminescence device including the same TYR, TOE1, PIEZO1 ELANE 1823/4885CYP2C9 80/4885CYP3A4 176/4885
US-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes PTGIS, PTGIR, FPR1 ELANE 59/4885CYP2C9 4171/4885CYP3A4 2835/4885
US-11655211-B2 Polycyclic compound and organic electroluminescence device including the same CCNA1, CCNT1, CCNL2 ELANE 1402/4885CYP2C9 1382/4885CYP3A4 1339/4885
US-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device CHRM1, L1CAM, CHRM4 ELANE 1294/4885CYP2C9 2179/4885CYP3A4 857/4885
US-11335860-B2 Organic electroluminescence device and condensed cyclic compound for organic electroluminescence device PIEZO1, OCIAD1, AQP1 ELANE 596/4885CYP2C9 1811/4885CYP3A4 3156/4885
US-11489125-B2 Organic electroluminescence device and monoamine compound for organic electroluminescence device MAOA, COMT, PNMT ELANE 1994/4885CYP2C9 1503/4885CYP3A4 1998/4885
US-11825744-B2 Organic electroluminescence device and condensed cyclic compound for organic electroluminescence device PIEZO1, OCIAD1, AQP1 ELANE 596/4885CYP2C9 1811/4885CYP3A4 3156/4885
US-11968891-B2 Organic electroluminescence device and heterocyclic compound for organic electroluminescence device OCIAD1, OCIAD2, SLC25A21 ELANE 1259/4885CYP2C9 568/4885CYP3A4 441/4885
US-20100003709-A1 Crystal Structure of Enzyme and Uses Thereof SERPINB1, ELANE, MMP8 ELANE 2/4885CYP2C9 1214/4885CYP3A4 830/4885
US-11793068-B2 Amine compound and organic electroluminescence device including the same AOC2, H1-2, CHRM1 ELANE 1842/4885CYP2C9 2371/4885CYP3A4 2302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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