SCHEMBL6501760

SCHEMBL6501760

N#Cc1cccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCSC3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A4 P31645 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MCHR1 Q99705 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
USP30 Q70CQ3 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCR3 P51677 1/20 0.32
CHEK1 O14757 2/20 0.32
OTUD7B Q6GQQ9 2/20 0.32

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
SCHEMBL6499578 0.85 HTR2C (0.46) HTR2CHTR2AHTR2BHRH3
SCHEMBL6783836 0.84 HTR2C (0.47) HTR2CHTR2AHTR2BHRH3
SCHEMBL6493479 0.83 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL6783978 0.82 HTR2C (0.67) HTR2CHTR2AHTR2B
SCHEMBL6782509 0.82 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL6756106 0.82 HTR2C (0.70) HTR2CHTR2AHTR2BHRH3DRD2
SCHEMBL6491220 0.78 HTR2C (0.61) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL6490403 0.78 HTR2C (0.61) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL6492559 0.77 HTR2C (0.58) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6782816 0.76 HTR2C (0.44) HTR2CHTR2AHTR2BSLC6A2SLC6A3

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.