SCHEMBL21856103

SCHEMBL21856103

CCC1(NC(=O)O)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
ADAMTS4 O75173 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP8 P22894 1/20 0.31
ADAM17 P78536 1/20 0.31
ADAMTS1 Q9UHI8 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL28060870 0.89 OPRM1 (0.33) OPRM1KDM4EKMT2A
SCHEMBL20908043 0.85
SCHEMBL21526626 0.84 KDM4E (0.37) OPRM1KDM4EKMT2ACYP1A2
SCHEMBL16509280 0.82 KMT2A (0.36) OPRM1KDM4EKMT2ANPFFR1NPFFR2
SCHEMBL4725793 0.82 KDM4E (0.34) OPRM1KDM4EKMT2ANPFFR1NPFFR2
SCHEMBL23573562 0.81 MME (0.37)
Acetic Acid SCHEMBL23244955 0.81 KDM4E (0.35) OPRM1KDM4EKMT2ANPFFR1NPFFR2
SCHEMBL19717688 0.80 KDM4E (0.33) OPRM1KDM4EKMT2ANPFFR1NPFFR2
SCHEMBL16501765 0.79 KDM4E (0.34) KDM4EKMT2A
SCHEMBL20744106 0.78 HSD17B10 (0.30)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753941-B1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO LTD (CN) 2024-05-01 EP disclosed
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-11-15 US disclosed
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2021-12-09 US disclosed
WO-2021143680-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2021-07-22 WO disclosed
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2021-02-25 US disclosed
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 EP disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 WO disclosed
CN-104350055-B Bicyclic heteroaryl derivatives and application thereof as MNK1 and MNK2 regulator 新加坡科技研究局 2019-05-31 CN disclosed
CN-104350055-A Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY SCIENCE TECH & RES (SG) 2015-02-11 CN 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 (3 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-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof PTPN11, PPM1F, PTPRF OPRM1 4825/4885KDM4E 3462/4885KMT2A 3154/4885
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PTP4A1, PPP5C OPRM1 4685/4885KDM4E 1572/4885KMT2A 2176/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF OPRM1 4825/4885KDM4E 3462/4885KMT2A 3154/4885

“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.