SCHEMBL3553840

SCHEMBL3553840

Cc1cc2c(c(C)c1O)CC1CN(Cc3ccccc3)CCN1C2=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SCN4A P35499 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 0.37
TACR1 P25103 1/20 0.37
MEN1 O00255 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
SCHEMBL3553837 1.00 DRD2 (0.39) DRD2ALDH1A1KMT2APOLBHTR2A
SCHEMBL3554185 0.85 DRD2 (0.41) DRD2ALDH1A1KMT2APOLBHTR2A
SCHEMBL3554180 0.85 DRD2 (0.41) DRD2ALDH1A1KMT2APOLBHTR2A
SCHEMBL3560305 0.84 DRD2 (0.40) DRD2ALDH1A1KMT2APOLBOPRM1
SCHEMBL3560302 0.84 DRD2 (0.40) DRD2ALDH1A1KMT2APOLBOPRM1
SCHEMBL3558012 0.81 LMNA (0.44) DRD2SIGMAR1CHRM2CHRM3TACR1
SCHEMBL3555740 0.81 LMNA (0.44) DRD2SIGMAR1CHRM2CHRM3TACR1
SCHEMBL3557221 0.80 LMNA (0.42) DRD2ALDH1A1KMT2APOLBOPRM1
SCHEMBL3557279 0.80 KMT2A (0.39) DRD2ALDH1A1KMT2APOLBHTR2A
SCHEMBL3557220 0.80 LMNA (0.42) DRD2ALDH1A1KMT2APOLBOPRM1

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 DRD2 47/4885ALDH1A1 4097/4885KMT2A 3307/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B DRD2 45/4885ALDH1A1 3898/4885KMT2A 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.