SCHEMBL11296862

SCHEMBL11296862

NC(=O)C1(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
OPRL1 P41146 2/20 0.49
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SSTR1 P30872 1/20 0.45
SSTR4 P31391 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD11B1 P28845 1/20 0.43
POLB P06746 1/20 0.42
IDO1 P14902 2/20 0.39
LMNA P02545 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
GAA P10253 1/20 0.38
AMPD2 Q01433 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23630306 0.83 SSTR1 (0.46) CYP2C9CYP2C19SSTR1SSTR4MEN1
SCHEMBL9768235 0.81 SSTR1 (0.48) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL16083425 0.81 OPRM1 (0.47) OPRM1OPRL1HSD11B1IDO1GAA
SCHEMBL15897427 0.81 HSD11B1 (0.38) OPRM1OPRL1SSTR1SSTR4HSD11B1
SCHEMBL2469547 0.81 MAOA (0.50) OPRM1OPRL1HSD11B1LMNAALDH1A1
SCHEMBL30589493 0.81 MAOA (0.50) OPRM1OPRL1HSD11B1LMNAALDH1A1
SCHEMBL9768219 0.80 GSK3B (0.44) OPRM1OPRL1CYP2C9CYP2C19SSTR1
SCHEMBL2470610 0.80 SSTR1 (0.49) SSTR1SSTR4MEN1KMT2AHSD11B1
SCHEMBL28113628 0.78 HSD11B1 (0.39) OPRM1OPRL1CYP2C9CYP2C19SSTR1
SCHEMBL4960187 0.78 CYP17A1 (0.41) CYP2C9CYP2C19MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
CN-103328442-A Azetidine derivatives useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV 2013-09-25 CN disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 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 (2 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC OPRM1 4863/4885OPRL1 4436/4885CYP2C9 2924/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC OPRM1 4863/4885OPRL1 4436/4885CYP2C9 2924/4885

“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.