SCHEMBL3554765

SCHEMBL3554765

CCCc1ccc2c(c1)CC1CN(Cc3ccccc3)CCN1C2=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.59
HTR2C P28335 4/20 0.59
HTR2B P41595 4/20 0.59
DRD2 P14416 3/20 0.44
KCNJ1 P48048 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
TACR1 P25103 2/20 0.40
MCHR1 Q99705 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 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
SCHEMBL3554761 1.00 HTR2A (0.59) HTR2AHTR2CHTR2BDRD2KCNJ1
SCHEMBL3561839 0.87 DRD2 (0.46) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3561843 0.87 DRD2 (0.46) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3553909 0.86 HTR2A (0.53) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3553904 0.86 HTR2A (0.53) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3560548 0.84 HTR2A (0.54) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3560545 0.84 HTR2A (0.54) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL25403864 0.84 DRD2 (0.47) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3554987 0.84 DRD2 (0.47) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3559826 0.84 ACHE (0.47) HTR2AHTR2CHTR2BDRD2SIGMAR1

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.