SCHEMBL971739

SCHEMBL971739

CCNC1(C#N)CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SIGMAR1 Q99720 4/20 0.47
OPRL1 P41146 3/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
MC4R P32245 1/20 0.45
CYP2D6 P10635 2/20 0.45
LMNA P02545 1/20 0.44
CTSS P25774 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL9232122 0.87 OPRM1 (0.58) OPRM1SMN1; SMN2CYP3A4HSD17B10SIGMAR1
SCHEMBL5242605 0.85 OPRM1 (0.60) OPRM1SMN1; SMN2CYP3A4HSD17B10SIGMAR1
SCHEMBL15461526 0.83 CYP2D6 (0.59) OPRM1SMN1; SMN2CYP3A4HSD17B10SIGMAR1
SCHEMBL12581100 0.83 OPRM1 (0.51) OPRM1SMN1; SMN2CYP3A4HSD17B10SIGMAR1
SCHEMBL17140513 0.82 OPRM1 (0.53) OPRM1SMN1; SMN2CYP3A4HSD17B10SIGMAR1
SCHEMBL22770550 0.82 OPRM1 (0.53) OPRM1SMN1; SMN2CYP3A4HSD17B10SIGMAR1
SCHEMBL2985757 0.81 SMN1; SMN2 (0.75) OPRM1SMN1; SMN2CYP3A4HSD17B10SIGMAR1
SCHEMBL5674636 0.80 OPRM1 (0.53) OPRM1SMN1; SMN2CYP3A4HSD17B10SIGMAR1
SCHEMBL5671764 0.79 OPRM1 (0.50) OPRM1SMN1; SMN2CYP3A4HSD17B10SIGMAR1
SCHEMBL8894220 0.79 CTSS (0.52) OPRM1SMN1; SMN2CYP3A4HSD17B10SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114090948-A Twiddle factor determination method and device, electronic equipment and storage medium 哲库科技(北京)有限公司 2022-02-25 CN disclosed
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
CN-100478343-C Purine compound and use as cannabinoid receptor ligands PFIZER (US) 2009-04-15 CN disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US disclosed
CN-100439369-C Purine compounds and their use as cannabinoid receptor ligands PFIZER (US) 2008-12-03 CN disclosed
EP-1951678-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-06 EP disclosed
US-20080097097-A1 Process for Preparing Purine Compounds RAGAN JOHN A 2008-04-24 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
WO-2004069838-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
US-20040157838-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040092520-A1 Purine compounds and uses thereof PFIZER INC. 2004-05-13 US disclosed
WO-2004037823-A1 PURINE COMPOUNDS AND USES THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-05-06 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-20040157838-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 OPRM1 6/4885SMN1; SMN2 3678/4885CYP3A4 1886/4885
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 OPRM1 6/4885SMN1; SMN2 3678/4885CYP3A4 1886/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 OPRM1 6/4885SMN1; SMN2 3678/4885CYP3A4 1886/4885
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 OPRM1 79/4885SMN1; SMN2 4351/4885CYP3A4 383/4885
US-20080097097-A1 Process for Preparing Purine Compounds PNP, UMPS, HPRT1 OPRM1 1622/4885SMN1; SMN2 1231/4885CYP3A4 102/4885
US-20040092520-A1 Purine compounds and uses thereof CNR1, CNR2, P2RY1 OPRM1 28/4885SMN1; SMN2 2962/4885CYP3A4 1342/4885

“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.