SCHEMBL6501422

SCHEMBL6501422

N#Cc1ccccc1CNc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
KCNK3 O14649 1/20 0.34
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
DPP4 P27487 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL6492814 0.87 HTR2C (0.41) CCNT1CDK9HTR2CHTR2AHTR2B
SCHEMBL6497940 0.86 HTR2C (0.38) CCNT1CDK9HTR2CHTR2AHTR2B
SCHEMBL6491132 0.85 HTR2C (0.35) HTR2CHTR2AHTR2B
SCHEMBL6783689 0.85 HTR2C (0.37) HTR2CHTR2AHTR2BKDM4EALDH1A1
SCHEMBL6789837 0.85 GAA (0.42) HTR2CHTR2AHTR2B
SCHEMBL6493369 0.82 HTR2C (0.38) KCNK3HTR2CHTR2AHTR2BKDM4E
SCHEMBL6494922 0.81 KDM4E (0.35) HTR2CHTR2AHTR2BKDM4EALDH1A1
SCHEMBL6788825 0.81 CYP2A13 (0.36) HTR2CHTR2AHTR2B
SCHEMBL6785120 0.81 HTR2C (0.40) HTR2CHTR2AHTR2B
SCHEMBL6490908 0.81 HTR2C (0.44) CCNT1CDK9KCNK3HTR2CHTR2A

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 CCNT1 2767/4885CDK9 2310/4885KCNK3 816/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 CCNT1 2767/4885CDK9 2310/4885KCNK3 816/4885

“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.