SCHEMBL3555386

SCHEMBL3555386

Cc1ccc(O)c2c1C(=O)N1CCNC[C@@]1(Cc1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
BACE1 P56817 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL3554629 0.68 HTR2A (0.45) HTR2AHTR2CHTR2BBACE1KMT2A
SCHEMBL5231140 0.68 HTR2C (0.38) HTR2AHTR2CHTR2BBACE1KMT2A
SCHEMBL2870036 0.66 SIGMAR1 (0.36) HTR2AHTR2CHTR2BKMT2A
SCHEMBL6695304 0.63 HTR2C (0.38) HTR2AHTR2CHTR2BKMT2A
SCHEMBL5230429 0.62 ELANE (0.39) HTR2AHTR2CHTR2BBACE1KMT2A
SCHEMBL6691330 0.61 SIGMAR1 (0.38) HTR2AHTR2CHTR2BKMT2A
SCHEMBL4278991 0.60 CYP2D6 (0.44) HTR2AKMT2A
SCHEMBL13119252 0.60 HTR2C (0.70) HTR2AHTR2CHTR2B
SCHEMBL4130873 0.59 CYP2D6 (0.43) HTR2AKMT2A
SCHEMBL3861069 0.59 MEN1 (0.43) HTR2AHTR2CKMT2A

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.