SCHEMBL17039082

SCHEMBL17039082

CC(C)Cc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCCO3)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.54
HTR2A P28223 2/20 0.54
HTR2B P41595 2/20 0.54

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
SCHEMBL29388613 0.86 HTR2C (0.62) HTR2CHTR2AHTR2B
SCHEMBL15800579 0.86 HTR2C (0.62) HTR2CHTR2AHTR2B
SCHEMBL5636371 0.86 HTR2C (0.62) HTR2CHTR2AHTR2B
SCHEMBL5637064 0.85 HTR2C (0.56) HTR2CHTR2AHTR2B
SCHEMBL5638490 0.85 HTR2C (0.56) HTR2CHTR2AHTR2B
SCHEMBL5636468 0.85 HTR2C (0.75) HTR2CHTR2AHTR2B
SCHEMBL5637201 0.85 HTR2C (0.56) HTR2CHTR2AHTR2B
SCHEMBL5635151 0.84 HTR2A (0.62) HTR2CHTR2AHTR2B
SCHEMBL5637170 0.84 HTR2C (0.54) HTR2CHTR2AHTR2B
SCHEMBL5635413 0.81 HTR2C (0.60) 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-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 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-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2C 1/4885HTR2A 4/4885HTR2B 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.