SCHEMBL6493453

SCHEMBL6493453

C[C@@H](Nc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCSC2)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
PRKCI P41743 2/20 0.34
LMNA P02545 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
BRD4 O60885 2/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL6501191 1.00 HTR2C (0.40) HTR2CHTR2AHTR2BPRKCILMNA
SCHEMBL6780784 0.91 HTR2C (0.40) HTR2CHTR2AHTR2BBRD4
SCHEMBL6501834 0.81 HTR2C (0.41) HTR2CHTR2AHTR2BPRKCI
SCHEMBL6490255 0.77 HTR2C (0.44) HTR2CHTR2AHTR2B
SCHEMBL6502919 0.77 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6492810 0.75 HTR2C (0.42) HTR2CHTR2AHTR2B
SCHEMBL6492557 0.75 HTR2C (0.49) HTR2CHTR2AHTR2B
SCHEMBL6494287 0.75 HTR2C (0.35) HTR2CHTR2AHTR2B
SCHEMBL6490555 0.75 HTR2C (0.40) HTR2CHTR2AHTR2B
SCHEMBL6491096 0.74 HTR2C (0.41) 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.