SCHEMBL6782816

SCHEMBL6782816

OCc1ccccc1-c1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCSC2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.44
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
SLC6A2 P23975 14/20 0.34
SLC6A4 P31645 13/20 0.34
SLC6A3 Q01959 10/20 0.34
CYP2D6 P10635 6/20 0.32
KCNH2 Q12809 2/20 0.32
CHRM3 P20309 1/20 0.31

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
SCHEMBL5410454 0.87 HTR2C (0.56) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6502817 0.86 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL5418842 0.86 HTR2C (0.54) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6492559 0.84 HTR2C (0.58) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6501409 0.83 HTR2C (0.44) HTR2CHTR2AHTR2B
SCHEMBL5637884 0.80 HTR2C (0.40) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6783978 0.79 HTR2C (0.67) HTR2CHTR2AHTR2BKCNH2
SCHEMBL5635916 0.79 HTR2C (0.44) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6784796 0.79 HTR2C (0.52) HTR2CHTR2AHTR2B
SCHEMBL6493479 0.78 HTR2C (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.