SCHEMBL3205012

SCHEMBL3205012

O=C1CNC(=O)C(Cc2ccc(O)cc2)N1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
CXCR4 P61073 6/20 0.52
OPRM1 P35372 6/20 0.50
OPRD1 P41143 6/20 0.50
OPRK1 P41145 2/20 0.49
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47

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
SCHEMBL5564861 1.00 HRH3 (0.53) HRH3CXCR4OPRM1OPRD1OPRK1
SCHEMBL12809436 1.00 HRH3 (0.53) HRH3CXCR4OPRM1OPRD1OPRK1
SCHEMBL30637559 0.92 OPRM1 (0.55) CXCR4OPRM1OPRD1OPRK1
SCHEMBL30637487 0.92 OPRM1 (0.55) CXCR4OPRM1OPRD1OPRK1
SCHEMBL30637599 0.92 OPRM1 (0.55) CXCR4OPRM1OPRD1OPRK1
SCHEMBL30637590 0.92 OPRM1 (0.55) CXCR4OPRM1OPRD1OPRK1
SCHEMBL29519897 0.86 OPRM1 (0.52) CXCR4OPRM1OPRD1OPRK1
SCHEMBL29519776 0.86 OPRM1 (0.52) CXCR4OPRM1OPRD1OPRK1
SCHEMBL14588782 0.86 CXCR4 (0.48) CXCR4OPRM1OPRD1ITGB3ITGA2B
SCHEMBL29519649 0.86 OPRM1 (0.52) CXCR4OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106752942-B A kind of environmental protection water external wall finish compositions and preparation method thereof 安徽北极蓝天生物科技有限公司 2018-11-16 CN claimed
CN-106752942-A A kind of environmental protection water external wall finish compositions and preparation method thereof 安徽北极蓝天生物科技有限公司 2017-05-31 CN claimed
US-20100028469-A1 Extracts of Cranberry and Methods of Using Thereof HERBALSCIENCE GROUP, LLC (US) 2010-02-04 US disclosed
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 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 (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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 HRH3 65/4885CXCR4 1055/4885OPRM1 202/4885

“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.