SCHEMBL1495945

SCHEMBL1495945

COc1cc2c(cc1Br)C(C)(C)CC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.50
HTR2B P41595 6/20 0.50
HTR2A P28223 6/20 0.50
NR3C1 P04150 8/20 0.38
PGR P06401 6/20 0.38
AR P10275 6/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
NR3C2 P08235 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL6785200 0.87 MAPT (0.46) HTR2CHTR2BHTR2ACYP3A4MAPT
SCHEMBL6085848 0.85 HTR2A (0.46) HTR2CHTR2BHTR2ANR3C1PGR
SCHEMBL5366510 0.83 RXRA (0.45) HTR2CHTR2BHTR2ANR3C1PGR
SCHEMBL1496270 0.82 MAPT (0.38) HTR2CHTR2BHTR2ACYP3A4MAPT
SCHEMBL1496061 0.81 CYP3A4 (0.40) HTR2CHTR2BHTR2ACYP3A4MAPT
SCHEMBL10324926 0.81 HTR2A (0.41) HTR2CHTR2BHTR2ACYP3A4MAPT
SCHEMBL4235784 0.81 BCHE (0.45) MAPT
SCHEMBL4654263 0.79 RXRA (0.37) HTR2CHTR2ACYP3A4MAPT
SCHEMBL29151740 0.78 HTR2A (0.46) HTR2CHTR2BHTR2ANR3C1PGR
SCHEMBL31525583 0.78 PKM (0.47)

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
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-9051331-B2 Substituted dihydro benzocycloalkyloxymethyl oxazolopyrimidinones, preparation and use thereof SANOFI (FR) 2015-06-09 US disclosed
EP-2477994-B1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-12-11 EP disclosed
EP-2477994-A1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI (FR) 2012-07-25 EP disclosed
US-20120184566-A1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI (FR) 2012-07-19 US disclosed
WO-2011034830-A1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 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 (2 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-20120184566-A1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF GRM2, GRM1, GRIN2C HTR2C 35/4885HTR2B 75/4885HTR2A 46/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 HTR2C 178/4885HTR2B 317/4885HTR2A 258/4885

“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.