SCHEMBL3554629

SCHEMBL3554629

COc1ccc2c(c1)C[C@]1(Cc3ccccc3)CNCCN1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.45
HTR2C P28335 5/20 0.45
HTR2B P41595 5/20 0.45
ADAM17 P78536 1/20 0.41
PARP1 P09874 1/20 0.40
AR P10275 2/20 0.39
DRD2 P14416 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ACHE P22303 3/20 0.39
BACE1 P56817 1/20 0.39
PARK7 Q99497 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2870036 0.68 SIGMAR1 (0.36) HTR2AHTR2CHTR2BSIGMAR1MAPT
SCHEMBL3555386 0.68 HTR2A (0.36) HTR2AHTR2CHTR2BBACE1KMT2A
SCHEMBL5231140 0.67 HTR2C (0.38) HTR2AHTR2CHTR2BSIGMAR1BACE1
SCHEMBL4502402 0.66 GRM5 (0.62) HTR2AHTR2CHTR2BADAM17DRD2
SCHEMBL29438690 0.66 GRM5 (0.62) HTR2AHTR2CHTR2BADAM17DRD2
SCHEMBL31168345 0.66 PARP1 (0.43) HTR2AHTR2CHTR2BADAM17PARP1
SCHEMBL1002943 0.66 ADAM17 (0.57) HTR2AHTR2CHTR2BADAM17DRD2
SCHEMBL5582360 0.65 ESR2 (0.72) AR
SCHEMBL3554631 0.64 HTR2A (0.54) HTR2AHTR2CHTR2BADAM17DRD2
SCHEMBL14524720 0.63 ESR2 (0.73) AR

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.