SCHEMBL7818441

SCHEMBL7818441

CNC1CCC(C)(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
LMNA P02545 2/20 0.34
BLM P54132 1/20 0.34
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNA7 P36544 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNA1 P02708 3/20 0.33
CHRNG P07510 3/20 0.33
CHRNB1 P11230 3/20 0.33
CHRND Q07001 3/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
CHRNE Q04844 1/20 0.33
CHRNA2 Q15822 1/20 0.33
KDM1A O60341 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
Hydrochloric Acid SCHEMBL25328842 0.97 EPHX2 (0.37) EPHX2LMNABLMCHRNB2CHRNB4
SCHEMBL18973534 0.90 EPHX2 (0.34) EPHX2LMNABLM
SCHEMBL16748090 0.83
Hydrochloric Acid SCHEMBL31716940 0.81 EPHX2 (0.32) EPHX2LMNACHRNB2CHRNB4CHRNA3
SCHEMBL31575750 0.78 ALDH1A1 (0.44) LMNACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2596586 0.78 ESR2 (0.38) LMNACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5044295 0.78 ESR2 (0.38) LMNACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11509613 0.78 CHRNB2 (0.36) LMNACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2596585 0.78 ESR2 (0.38) LMNACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25050066 0.77 KDM1A (0.31) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472956-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2024-12-11 EP disclosed
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-10 US disclosed
US-11992494-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-28 US disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 EP disclosed
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY 2023-10-12 US disclosed
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY 2023-10-12 US disclosed
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY 2023-10-12 US disclosed
WO-2023147531-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-03 WO disclosed
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF SANOFI-AVENTIS (FR) 2007-12-20 US disclosed
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF SANOFI-AVENTIS (FR) 2007-12-20 US disclosed
US-7282516-B2 4-cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof SANOFI-AVENTIS (FR) 2007-10-16 US disclosed
US-7282516-B2 4-cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof SANOFI-AVENTIS (FR) 2007-10-16 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US disclosed
EP-0652871-B1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-10-17 EP disclosed
US-5618812-A GASTRIN ANTAGONISTS; GASTROINTESTINAL DISORDERS MERCK SHARP & DOHME, LTD. (GB) 1997-04-08 US disclosed
EP-0652871-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-05-17 EP disclosed
WO-1994003437-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-17 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 (7 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-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN5 EPHX2 1784/4885LMNA 4590/4885BLM 2909/4885
US-11992494-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists PTAFR, PDGFRA, PDGFRB EPHX2 1805/4885LMNA 4583/4885BLM 4591/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK EPHX2 3195/4885LMNA 4225/4885BLM 1605/4885
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use PTPN2, PTPN22, PTPN5 EPHX2 1784/4885LMNA 4590/4885BLM 2909/4885
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF CBR3, CNR1, CNR2 EPHX2 2153/4885LMNA 2672/4885BLM 4181/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK EPHX2 3195/4885LMNA 4225/4885BLM 1605/4885
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PYCR1, PRMT9, PRLHR EPHX2 1157/4885LMNA 3748/4885BLM 3957/4885

“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.