SCHEMBL3554557

SCHEMBL3554557

Cc1ccc(O)c2c1C(=O)N1CCN(Cc3ccccc3)C[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
SCN4A P35499 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TACR1 P25103 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 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
SCHEMBL3554560 1.00 DRD2 (0.41) DRD2POLBKMT2ACA1CA2
SCHEMBL3560302 0.86 DRD2 (0.40) DRD2POLBKMT2ASCN4ACHRM2
SCHEMBL3560305 0.86 DRD2 (0.40) DRD2POLBKMT2ASCN4ACHRM2
SCHEMBL3561377 0.85 HTR2A (0.56) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL3561380 0.85 HTR2A (0.56) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL3557220 0.83 LMNA (0.42) DRD2POLBKMT2ASCN4ACHRM2
SCHEMBL3557285 0.83 KMT2A (0.39) DRD2POLBKMT2ASCN4ACHRM2
SCHEMBL3557221 0.83 LMNA (0.42) DRD2POLBKMT2ASCN4ACHRM2
SCHEMBL3557279 0.83 KMT2A (0.39) DRD2POLBKMT2ASCN4ACHRM2
SCHEMBL3554180 0.83 DRD2 (0.41) DRD2POLBKMT2ACHRM2CHRM3

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-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
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO 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 DRD2 47/4885POLB 4424/4885KMT2A 3307/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B DRD2 45/4885POLB 4431/4885KMT2A 3492/4885

“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.