SCHEMBL6493369

SCHEMBL6493369

Clc1cccc(Cl)c1CNc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLA2G1B P04054 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
KCNK3 O14649 1/20 0.32
CYP2A13 Q16696 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
SCHEMBL6490908 0.90 HTR2C (0.44) HTR2CHTR2AHTR2BALDH1A1GAA
SCHEMBL6783689 0.87 HTR2C (0.37) HTR2CHTR2AHTR2BALDH1A1GAA
SCHEMBL6785048 0.87 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6788825 0.87 CYP2A13 (0.36) HTR2CHTR2AHTR2BTSHRMAPT
SCHEMBL6490531 0.86 HTR2C (0.34) HTR2CHTR2AHTR2B
SCHEMBL6502245 0.85 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6785096 0.85 HTR2C (0.40) HTR2CHTR2AHTR2BALDH1A1GAA
SCHEMBL6501200 0.85 HTR2C (0.37) HTR2CHTR2AHTR2B
SCHEMBL6492814 0.84 HTR2C (0.41) HTR2CHTR2AHTR2BALDH1A1GAA
SCHEMBL6784660 0.83 HTR2C (0.36) HTR2CHTR2AHTR2BL3MBTL1KCNK3

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.