SCHEMBL6504389

SCHEMBL6504389

O=C1NCCN2c3c1cc(Br)cc3[C@@H]1CN(C(=O)O)CC[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
DRD1 P21728 1/20 0.33
SLC6A4 P31645 1/20 0.33
ACLY P53396 1/20 0.31
PARP1 P09874 1/20 0.30
PARP10 Q53GL7 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
SCHEMBL6491261 1.00 HTR2A (0.35) HTR2AHTR2CDRD1SLC6A4ACLY
SCHEMBL5507296 0.85 HTR2C (0.39) HTR2AHTR2CDRD1SLC6A4
SCHEMBL6494486 0.82 HTR2A (0.43) HTR2AHTR2CDRD1SLC6A4PARP1
SCHEMBL6494489 0.82 HTR2A (0.43) HTR2AHTR2CDRD1SLC6A4PARP1
SCHEMBL5410954 0.81 HTR2A (0.36) HTR2AHTR2CSLC6A4
SCHEMBL5410957 0.81 HTR2A (0.36) HTR2AHTR2CSLC6A4
SCHEMBL5507664 0.79 HTR2C (0.36) HTR2AHTR2CDRD1SLC6A4
SCHEMBL6812114 0.77 HTR2A (0.39) HTR2AHTR2C
SCHEMBL5410734 0.77 HTR2A (0.39) HTR2AHTR2C
SCHEMBL5410739 0.77 HTR2A (0.39) HTR2AHTR2C

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 HTR2A 21/4885HTR2C 11/4885DRD1 33/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2A 21/4885HTR2C 11/4885DRD1 33/4885

“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.