SCHEMBL8569230

SCHEMBL8569230

C[C@H](c1ccccc1)N1CC[C@@H](CC#N)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MC4R P32245 1/20 0.44
CCR5 P51681 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRK1 P41145 3/20 0.40
OPRL1 P41146 2/20 0.40
OPRD1 P41143 1/20 0.38
CHRM4 P08173 1/20 0.38
ADRA2A P08913 3/20 0.37
HTR2A P28223 3/20 0.37
ADRA1A P35348 3/20 0.37

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
SCHEMBL15380683 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL14577512 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL27646763 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL8565182 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL8576385 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL8580577 1.00 LMNA (0.49) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL9682060 0.88 CYP2D6 (0.50) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL14026665 0.82 CYP2D6 (0.55) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL10280648 0.82 CYP2D6 (0.55) LMNASMN1; SMN2CYP2D6HTTMAPT
SCHEMBL19895486 0.81 CYP2D6 (0.44) LMNASMN1; SMN2CYP2D6HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 US disclosed
US-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 US disclosed
WO-2012096928-A2 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-07-19 WO disclosed
EP-0581538-B1 4-Substituted 1,2,4-triazole derivatives MERCK SHARP & DOHME (GB) 1999-03-03 EP disclosed
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 EP disclosed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed
US-5554629-A HEADACHES MERCK, SHARP & DOHME LTD. (GB) 1996-09-10 US disclosed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US disclosed
EP-0581538-A1 4-Substituted 1,2,4-triazole derivatives MERCK SHARP & DOHME LTD. (GB) 1994-02-02 EP disclosed
US-5278317-A Aminomethylpyrrole WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed
EP-0177016-B1 PYRIDYLOXY DERIVATIVES Ikeda Mohando Co., Ltd. (JP) 1993-06-23 EP disclosed
US-5157128-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-10-20 US disclosed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed
US-5072001-A Bactericides WARNER-LAMBERT COMPANY (US) 1991-12-10 US 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 (1 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-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS FASN, FPGS, DHPS LMNA 3065/4885SMN1; SMN2 3941/4885CYP2D6 720/4885

“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.