SCHEMBL1465773

SCHEMBL1465773

COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HTR1E P28566 1/20 0.52
▸ S1PR3 Q99500 1/20 0.52
▸ ADRA1D P25100 4/20 0.51
▸ ADRA1A P35348 4/20 0.51
▸ ADRA1B P35368 3/20 0.51
▸ CYP2C9 P11712 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL3227451 0.94 MEN1 (0.58) MEN1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL3903075 0.90 L3MBTL1 (0.58) MEN1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL1769341 0.83 LMNA (0.64) MEN1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL15054845 0.82 KDM1A (0.47) MEN1KMT2ALMNATSHRNPSR1
SCHEMBL6607473 0.81 NPSR1 (0.52) MEN1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL4859733 0.80 LMNA (0.46) MEN1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL1769201 0.80 NPSR1 (0.50) MEN1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL2433130 0.79 ADRA1A (0.41) MEN1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL15911343 0.79 LMNA (0.43) MEN1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL10969691 0.78 MAPK1 (0.45) MEN1CYP1A2CYP2C19KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573972-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2026-01-14 — — EP disclosed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 — — US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 — — US disclosed
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 — — EP disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 — — US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 — — US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 — — US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 — — US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 — — US disclosed
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-03-30 — — US disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 — — WO disclosed
EP-1658265-A4 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUENENTHAL GMBH (DE) 2006-11-29 — — EP disclosed
US-20060258884-A1 4-(Methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2006-11-16 — — US disclosed
CN-1852891-A 4- (methylsulfonylamino) phenyl analogues as vanilloid antagonists with high analgesic activity and pharmaceutical compositions containing them GRUENENTHAL GMBH (DE) 2006-10-25 — — CN disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 — — CN disclosed
EP-1658265-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Grünenthal GmbH (DE) 2006-05-24 — — EP disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 — — EP disclosed
WO-2005003084-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUNENTHAL GMBH (DE) 2005-01-13 — — WO disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 — — US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 — — 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 (6 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-20060258884-A1 4-(Methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same TRPV1, TRPA1, GPR68 MEN1 2980/4885CYP1A2 1957/4885CYP2C19 568/4885
US-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MEN1 1677/4885CYP1A2 2785/4885CYP2C19 2238/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4687/4885CYP1A2 2202/4885CYP2C19 1915/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MEN1 4687/4885CYP1A2 2202/4885CYP2C19 1915/4885
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4687/4885CYP1A2 2202/4885CYP2C19 1915/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4687/4885CYP1A2 2202/4885CYP2C19 1915/4885

“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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