SCHEMBL2686296

SCHEMBL2686296

COC(=O)Cc1cn(C)c2ccc(OC)cc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.65
MTNR1B P49286 13/20 0.65
NQO2 P16083 1/20 0.65
AKR1C3 P42330 3/20 0.62
ADRB2 P07550 1/20 0.60
HTR6 P50406 1/20 0.58
AKR1C2 P52895 1/20 0.53

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
SCHEMBL2685182 0.87 MTNR1A (0.63) MTNR1AMTNR1BNQO2AKR1C3ADRB2
SCHEMBL15242222 0.86 MTNR1A (0.70) MTNR1AMTNR1BNQO2ADRB2HTR6
SCHEMBL2686872 0.84 SPR (0.62) MTNR1AMTNR1BNQO2AKR1C3
SCHEMBL20604920 0.83 KDM4E (0.47) MTNR1AMTNR1BNQO2AKR1C3ADRB2
SCHEMBL8529581 0.82 CPT1A (0.49) MTNR1AMTNR1BNQO2AKR1C3
SCHEMBL13888101 0.82 ADRB2 (0.70) MTNR1AMTNR1BNQO2AKR1C3ADRB2
SCHEMBL24723814 0.82 MTNR1A (0.57) MTNR1AMTNR1BNQO2AKR1C3ADRB2
SCHEMBL8366372 0.81 ALDH1A1 (0.56) MTNR1AMTNR1BNQO2AKR1C3AKR1C2
SCHEMBL24723269 0.81 MTNR1A (0.56) MTNR1AMTNR1BNQO2AKR1C3ADRB2
SCHEMBL16494963 0.80 HTR6 (0.57) MTNR1AMTNR1BNQO2AKR1C3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638034-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-09-18 EP disclosed
WO-2012062462-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-05-18 WO disclosed
WO-2012062462-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-05-18 WO disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-5703070-A PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-30 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-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 MTNR1A 304/4885MTNR1B 489/4885NQO2 966/4885

“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.