SCHEMBL8259441

SCHEMBL8259441

CC(C)C1(O)CCN(C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 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
SCHEMBL8260606 0.87 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1GRIN2D
SCHEMBL23077819 0.76 CRHBP (0.34)
SCHEMBL20381548 0.74 GRIN2D (0.39) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL14593640 0.74 GRIN2D (0.33) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL84465 0.73 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1
SCHEMBL8259116 0.73 GRIN2D (0.42) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL12563429 0.73 GRIN2D (0.42) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24974308 0.73 GRIN2D (0.38) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL8260608 0.72 GRIN2D (0.35) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL2617739 0.71 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS SINAI HEALTH SYSTEM (CA) 2024-06-27 US disclosed
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-06-16 US disclosed
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-09-09 US disclosed
US-20210253564-A1 Pyridazine Derivatives as SMARCA2/4 Degraders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-08-19 US disclosed
US-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-06-17 US disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 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 (9 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-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 OPRM1 23/4885OPRD1 27/4885OPRK1 16/4885
US-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS ATR, MRE11, PARP2 OPRM1 4750/4885OPRD1 4387/4885OPRK1 4470/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 OPRM1 23/4885OPRD1 27/4885OPRK1 16/4885
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 OPRM1 4438/4885OPRD1 3974/4885OPRK1 3428/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 OPRM1 6/4885OPRD1 9/4885OPRK1 5/4885
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS WEE2, WEE1, KAT2A OPRM1 3886/4885OPRD1 4108/4885OPRK1 3614/4885
US-20210253564-A1 Pyridazine Derivatives as SMARCA2/4 Degraders SMARCC1, SMARCC2, SMARCA2 OPRM1 4631/4885OPRD1 4710/4885OPRK1 4471/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 OPRM1 7/4885OPRD1 24/4885OPRK1 5/4885
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 OPRM1 4752/4885OPRD1 4632/4885OPRK1 3744/4885

“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.