SCHEMBL6814535

SCHEMBL6814535

CC(C)Oc1ncccc1Nc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ATR Q13535 2/20 0.35
ATRIP Q8WXE1 2/20 0.35
MKNK2 Q9HBH9 4/20 0.34
HTR2C P28335 4/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33

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
SCHEMBL6806051 0.90 HCRTR1 (0.34) TYK2HCRTR1HCRTR2ATRATRIP
SCHEMBL6490078 0.88 HTR2C (0.33) TYK2HCRTR1HCRTR2HTR2CHTR2A
SCHEMBL6491130 0.88 HTR2C (0.34) TYK2HTR2CHTR2AHTR2B
SCHEMBL6810658 0.88 TYK2 (0.35) TYK2HTR2CHTR2AHTR2B
SCHEMBL6491509 0.86 HTR2A (0.37) HCRTR1HCRTR2HTR2CHTR2AHTR2B
SCHEMBL6501374 0.83 PIK3CA (0.36) HTR2CHTR2AHTR2B
SCHEMBL6501176 0.83 HTR2C (0.34) HTR2CHTR2AHTR2B
SCHEMBL6783840 0.80 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL6810585 0.80 HTR2C (0.33) HTR2CHTR2AHTR2B
SCHEMBL6493979 0.79 HTR2C (0.36) 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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 TYK2 1181/4885HCRTR1 72/4885HCRTR2 146/4885

“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.