SCHEMBL6498252

SCHEMBL6498252

COc1cc(C#N)ccc1Nc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
TNIK Q9UKE5 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
TTK P33981 1/20 0.33
AURKA O14965 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
KCNH2 Q12809 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
FASN P49327 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL6501673 0.87 HTR2C (0.37) HTR2CHTR2AHTR2B
SCHEMBL6502241 0.86 HTR2C (0.38) HTR2CHTR2AHTR2B
SCHEMBL6491978 0.86 HTR2C (0.45) HTR2CHTR2AHTR2B
SCHEMBL6784788 0.85 HTR2C (0.39) HTR2CHTR2AHTR2BCCNT1CDK9
SCHEMBL6491132 0.84 HTR2C (0.35) HTR2CHTR2AHTR2BIRAK4
SCHEMBL6493927 0.84 HTR2C (0.32) HTR2CHTR2AHTR2B
SCHEMBL6501662 0.83 HTR2C (0.37) HTR2CHTR2AHTR2BTNIKKCNH2
SCHEMBL6498507 0.83 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6503521 0.81 PDE4D (0.35) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6500547 0.81 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 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.