SCHEMBL6784256

SCHEMBL6784256

c1ccc2c(Nc3cc4c5c(c3)[C@@H]3CNCC[C@@H]3N5CCOC4)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.37
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CDC25B P30305 1/20 0.32
ATM Q13315 1/20 0.32
ULK1 O75385 2/20 0.32
FADS1 O60427 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
SCHEMBL6783840 0.87 HTR2C (0.43) HTR2CHTR2AHTR2BSMN1; SMN2ALDH1A1
SCHEMBL6493032 0.86 HTR2C (0.33) HTR2CHTR2AHTR2B
SCHEMBL6491699 0.86 HTR2C (0.39) HTR2CHTR2AHTR2BHPGDMAPT
SCHEMBL6492367 0.86 HTR2C (0.36) HTR2CHTR2AHTR2BMAPTSMN1; SMN2
SCHEMBL6501200 0.86 HTR2C (0.37) HTR2CHTR2AHTR2B
SCHEMBL6491132 0.85 HTR2C (0.35) HTR2CHTR2AHTR2B
SCHEMBL6783931 0.85 HTR2C (0.42) HTR2CHTR2AHTR2BLMNAMAPT
SCHEMBL6783539 0.83 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6499878 0.83 HTR2C (0.41) HTR2CHTR2AHTR2B
SCHEMBL6500561 0.83 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-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
WO-2004037768-A2 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-05-06 WO 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.