SCHEMBL6494922

SCHEMBL6494922

Cc1ccc(CNc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 4/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34

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
SCHEMBL6490116 0.90 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL6788825 0.84 CYP2A13 (0.36) MAPTHTR2CHTR2AHTR2B
SCHEMBL6492814 0.83 HTR2C (0.41) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL6789302 0.83 HTR2C (0.35) ALDH1A1HTR2CHTR2AHTR2B
SCHEMBL6783689 0.83 HTR2C (0.37) KDM4EALDH1A1GAAHTR2CHTR2A
SCHEMBL6783188 0.82 HTR2C (0.40) GAAHTR2CHTR2AHTR2B
SCHEMBL6505139 0.82 HTR2C (0.37) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL6783761 0.82 HTR2C (0.40) GAAHTR2CHTR2AHTR2B
SCHEMBL6493369 0.81 HTR2C (0.38) KDM4EALDH1A1GAAMAPTHTR2C
SCHEMBL6789837 0.81 GAA (0.42) GAAHTR2CHTR2AHTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 KDM4E 2300/4885MEN1 1702/4885USP2 4676/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 KDM4E 2300/4885MEN1 1702/4885USP2 4676/4885

“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.