SCHEMBL6489576

SCHEMBL6489576

O=C1NCCN2c3c1cc(-c1ccc(Cl)cc1Cl)cc3[C@H]1CNCC[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.47
HTR2A P28223 8/20 0.40
HTR2B P41595 6/20 0.40
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 2/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
PARP10 Q53GL7 1/20 0.32
AHR P35869 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
SCHEMBL6785141 1.00 HTR2C (0.47) HTR2CHTR2AHTR2BMAPK1KMT2A
Hydrochloric Acid SCHEMBL5516070 0.86 HTR2C (0.48) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL5418537 0.85 HTR2C (0.51) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL5418534 0.85 HTR2C (0.51) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL5428505 0.85 HTR2C (0.51) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL6492389 0.82 HTR2C (0.48) HTR2CHTR2AHTR2B
SCHEMBL6492393 0.82 HTR2C (0.48) HTR2CHTR2AHTR2B
SCHEMBL5408713 0.82 HTR2C (0.53) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL5408717 0.82 HTR2C (0.53) HTR2CHTR2AHTR2BMAPK1KMT2A
Hydrochloric Acid SCHEMBL5515385 0.80 HTR2C (0.52) HTR2CHTR2AHTR2BMAPK1KMT2A

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.