SCHEMBL3557220

SCHEMBL3557220

Cc1cc(Br)c(O)c2c1C(=O)N1CCN(Cc3ccccc3)C[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
POLB P06746 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
FPR2 P25090 1/20 0.36
SCN4A P35499 2/20 0.36
CHRM2 P08172 2/20 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
SCHEMBL3557221 1.00 LMNA (0.42) LMNADRD2ALDH1A1KMT2AMEN1
SCHEMBL3560305 0.91 DRD2 (0.40) LMNADRD2ALDH1A1KMT2AKDM4E
SCHEMBL3560302 0.91 DRD2 (0.40) LMNADRD2ALDH1A1KMT2AKDM4E
SCHEMBL3557279 0.88 KMT2A (0.39) LMNADRD2ALDH1A1KMT2AMEN1
SCHEMBL3557285 0.88 KMT2A (0.39) LMNADRD2ALDH1A1KMT2AMEN1
SCHEMBL3554557 0.83 DRD2 (0.41) LMNADRD2ALDH1A1KMT2AMAPK1
SCHEMBL3554560 0.83 DRD2 (0.41) LMNADRD2ALDH1A1KMT2AMAPK1
SCHEMBL3558012 0.82 LMNA (0.44) LMNADRD2FPR2CHRM2CHRM3
SCHEMBL3555740 0.82 LMNA (0.44) LMNADRD2FPR2CHRM2CHRM3
SCHEMBL3553840 0.80 DRD2 (0.39) DRD2ALDH1A1KMT2AMEN1POLB

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 LMNA 3911/4885DRD2 47/4885ALDH1A1 4097/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B LMNA 3803/4885DRD2 45/4885ALDH1A1 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.