SCHEMBL3554631

SCHEMBL3554631

COc1ccc2c(c1)CC1[C@@H](Cc3ccccc3)NCCN1C2=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.54
HTR2C P28335 7/20 0.54
HTR2B P41595 5/20 0.54
CYP19A1 P11511 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
DRD2 P14416 3/20 0.42
ACHE P22303 3/20 0.41
BACE1 P56817 1/20 0.41
CYP24A1 Q07973 3/20 0.41
HTR1A P08908 1/20 0.41
ADAM17 P78536 1/20 0.39
CYP26A1 O43174 1/20 0.39
CYP27A1 Q02318 1/20 0.39

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
SCHEMBL3553131 0.73 HTR2C (0.52) HTR2AHTR2CHTR2BDRD2
SCHEMBL3560218 0.72 HTR2A (0.55) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL3560220 0.72 HTR2A (0.55) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL5582351 0.71 CYP19A1 (0.77) CYP19A1ACHECYP24A1CYP26A1CYP27A1
SCHEMBL13119233 0.71 HTR2C (1.00) HTR2AHTR2CHTR2B
SCHEMBL3558087 0.70 ACHE (0.42) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL3654185 0.67 DRD2 (0.65) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL3555389 0.67 HTR2B (0.38) HTR2AHTR2CHTR2B
SCHEMBL29438690 0.67 GRM5 (0.62) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL4502402 0.67 GRM5 (0.62) HTR2AHTR2CHTR2BSIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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 (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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A HTR2A 3/4885HTR2C 5/4885HTR2B 4/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HTR2A 4/4885HTR2C 6/4885HTR2B 3/4885

“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.