SCHEMBL6492032

SCHEMBL6492032

CC(=O)c1cc(Cl)ccc1-c1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.44
HTR2A P28223 5/20 0.44
HTR2B P41595 4/20 0.44
CHRM1 P11229 2/20 0.32
KDM4E B2RXH2 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
AKT1 P31749 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM3 P20309 1/20 0.30
HSD17B3 P37058 1/20 0.30
ALPL P05186 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
SCHEMBL6502225 0.91 HTR2C (0.44) HTR2CHTR2AHTR2BCHRM1ALDH1A1
SCHEMBL6492742 0.90 HTR2C (0.46) HTR2CHTR2AHTR2BCHRM1AKT1
SCHEMBL6784649 0.86 HTR2C (0.43) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6493834 0.85 HTR2C (0.45) HTR2CHTR2AHTR2BCHRM1SLC6A2
SCHEMBL6790732 0.82 HTR2C (0.57) HTR2CHTR2AHTR2BSLC6A3
SCHEMBL6499121 0.81 HTR2C (0.43) HTR2CHTR2AHTR2BAKT1
SCHEMBL6779762 0.80 HTR2C (0.46) HTR2CHTR2AHTR2BKDM4EAKT1
SCHEMBL6500335 0.79 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL6501968 0.78 HTR2C (0.44) HTR2CHTR2AHTR2B
SCHEMBL6501724 0.78 HTR2C (0.59) HTR2CHTR2AHTR2B

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 HTR2C 11/4885HTR2A 21/4885HTR2B 5/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2C 11/4885HTR2A 21/4885HTR2B 5/4885

“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.