SCHEMBL3557285

SCHEMBL3557285

CCc1cc(C)c2c(c1O)CC1CN(Cc3ccccc3)CCN1C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 1/20 0.38
POLB P06746 1/20 0.38
MAOA P21397 1/20 0.37
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SCN4A P35499 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL3557279 1.00 KMT2A (0.39) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL3560305 0.91 DRD2 (0.40) KMT2ALMNAALDH1A1HTTDRD2
SCHEMBL3560302 0.91 DRD2 (0.40) KMT2ALMNAALDH1A1HTTDRD2
SCHEMBL3557221 0.88 LMNA (0.42) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL3557220 0.88 LMNA (0.42) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL3554557 0.83 DRD2 (0.41) KMT2ALMNAALDH1A1HTTDRD2
SCHEMBL3554560 0.83 DRD2 (0.41) KMT2ALMNAALDH1A1HTTDRD2
SCHEMBL3553837 0.80 DRD2 (0.39) KMT2AMEN1ALDH1A1DRD2POLB
SCHEMBL3553840 0.80 DRD2 (0.39) KMT2AMEN1ALDH1A1DRD2POLB
SCHEMBL3561380 0.78 HTR2A (0.56) LMNAALDH1A1HTTHTR2AHTR2C

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 KMT2A 3307/4885MEN1 1542/4885LMNA 3911/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B KMT2A 3492/4885MEN1 1633/4885LMNA 3803/4885

“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.