SCHEMBL6783689

SCHEMBL6783689

c1ccc(CNc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.37
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PIK3CB P42338 6/20 0.33
PIK3CA P42336 3/20 0.33
OPRD1 P41143 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTT P42858 2/20 0.32
MAOA P21397 1/20 0.32
LTA4H P09960 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
SCHEMBL6502245 0.90 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6501451 0.88 HTR2C (0.39) HTR2CHTR2AHTR2BPIK3CA
SCHEMBL6490531 0.88 HTR2C (0.34) HTR2CHTR2AHTR2B
SCHEMBL6492814 0.87 HTR2C (0.41) HTR2CHTR2AHTR2BKDM4EALDH1A1
SCHEMBL6493369 0.87 HTR2C (0.38) HTR2CHTR2AHTR2BKDM4EALDH1A1
SCHEMBL6491699 0.86 HTR2C (0.39) HTR2CHTR2AHTR2BGAAHPGD
SCHEMBL6490908 0.86 HTR2C (0.44) HTR2CHTR2AHTR2BKDM4EALDH1A1
SCHEMBL6501422 0.85 CCNT1 (0.35) HTR2CHTR2AHTR2BKDM4EALDH1A1
SCHEMBL6789837 0.85 GAA (0.42) HTR2CHTR2AHTR2BGAA
SCHEMBL6501834 0.84 HTR2C (0.41) HTR2CHTR2AHTR2BOPRD1OPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.