SCHEMBL6492433

SCHEMBL6492433

COc1ccc(Nc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCSC3)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.46
HTR2B P41595 6/20 0.46
HTR2A P28223 3/20 0.46
GAA P10253 1/20 0.36
PRKDC P78527 5/20 0.35
PIK3CA P42336 4/20 0.35
MAPK14 Q16539 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 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
SCHEMBL6490555 0.88 HTR2C (0.40) HTR2CHTR2BHTR2AMAPK14
SCHEMBL5636311 0.84 HTR2C (0.52) HTR2CHTR2BHTR2AGAAPRKDC
SCHEMBL6490880 0.83 HTR2C (0.60) HTR2CHTR2BHTR2AMEN1ALDH1A1
SCHEMBL6502084 0.80 HTR2C (0.38) HTR2CHTR2BHTR2AMAPK14
SCHEMBL6501819 0.80 HTR2C (0.38) HTR2CHTR2BHTR2AMAPK14
SCHEMBL6810296 0.79 HTR2C (0.35) HTR2CHTR2BHTR2A
SCHEMBL6492343 0.78 HTR2C (0.35) HTR2CHTR2BHTR2A
SCHEMBL6492810 0.78 HTR2C (0.42) HTR2CHTR2BHTR2A
SCHEMBL6494287 0.77 HTR2C (0.35) HTR2CHTR2BHTR2A
SCHEMBL6492147 0.77 HTR2C (0.36) 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 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 11/4885HTR2B 5/4885HTR2A 21/4885
US-20040186094-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.