SCHEMBL3554180

SCHEMBL3554180

Cc1c(O)ccc2c1C[C@@H]1CN(Cc3ccccc3)CCN1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
IKZF2 Q9UKS7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CHRM3 P20309 3/20 0.38
CHRM2 P08172 2/20 0.38
TACR1 P25103 2/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
KMT2A Q03164 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
SCHEMBL3554185 1.00 DRD2 (0.41) DRD2IKZF2ALDH1A1GAAMAPT
SCHEMBL3561974 0.87 SIGMAR1 (0.41) DRD2ALDH1A1SIGMAR1CHRM3CHRM2
SCHEMBL3561969 0.87 SIGMAR1 (0.41) DRD2ALDH1A1SIGMAR1CHRM3CHRM2
SCHEMBL3553840 0.85 DRD2 (0.39) DRD2ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL3553837 0.85 DRD2 (0.39) DRD2ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL3554560 0.83 DRD2 (0.41) DRD2ALDH1A1TSHRHTR2AHTR2C
SCHEMBL3554557 0.83 DRD2 (0.41) DRD2ALDH1A1TSHRHTR2AHTR2C
SCHEMBL3553614 0.79 DRD2 (0.45) DRD2MAPTHTR2AHTR2CHTR2B
SCHEMBL3555405 0.79 DRD2 (0.45) DRD2MAPTHTR2AHTR2CHTR2B
SCHEMBL3553909 0.78 HTR2A (0.53) DRD2ALDH1A1HTR2AHTR2CHTR2B

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 47/4885IKZF2 4831/4885ALDH1A1 4097/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B DRD2 45/4885IKZF2 4848/4885ALDH1A1 3898/4885

“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.