SCHEMBL6490116

SCHEMBL6490116

COc1ccc(CNc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
HTR2B P41595 5/20 0.43
HTR2A P28223 2/20 0.43
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
RAB9A P51151 1/20 0.31
HTR4 Q13639 1/20 0.30

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
SCHEMBL6494922 0.90 KDM4E (0.35) HTR2CHTR2BHTR2A
SCHEMBL6505139 0.84 HTR2C (0.37) HTR2CHTR2BHTR2AKDM1AMAOA
SCHEMBL6788825 0.82 CYP2A13 (0.36) HTR2CHTR2BHTR2A
SCHEMBL6501724 0.81 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL6783218 0.81 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL6491978 0.81 HTR2C (0.45) HTR2CHTR2BHTR2A
SCHEMBL6492814 0.81 HTR2C (0.41) HTR2CHTR2BHTR2A
SCHEMBL6783689 0.80 HTR2C (0.37) HTR2CHTR2BHTR2AMAOA
SCHEMBL6790044 0.80 HTR2C (0.39) HTR2CHTR2BHTR2A
SCHEMBL6783761 0.79 HTR2C (0.40) HTR2CHTR2BHTR2A

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 3 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-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 (1 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 HTR2C 11/4885HTR2B 5/4885HTR2A 21/4885

“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.