SCHEMBL21028604

SCHEMBL21028604

Cn1cc(Cl)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3F)CC2)n1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.80
HTR2C P28335 10/20 0.76
KCNH2 Q12809 2/20 0.76
HSD17B10 Q99714 1/20 0.48
ACKR3 P25106 1/20 0.46

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
SCHEMBL29573192 0.89 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL3142926 0.89 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL3136020 0.86 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL3144147 0.84 HTR2A (0.77) HTR2AHTR2CKCNH2HSD17B10
SCHEMBL29572905 0.84 HTR2A (0.77) HTR2AHTR2CKCNH2HSD17B10
SCHEMBL29572880 0.83 HTR2A (0.78) HTR2AHTR2CKCNH2
SCHEMBL3144161 0.83 HTR2A (0.78) HTR2AHTR2CKCNH2
SCHEMBL3142912 0.79 HTR2A (0.83) HTR2AHTR2CKCNH2HSD17B10
SCHEMBL3143488 0.78 HTR2A (0.76) HTR2AHTR2CKCNH2HSD17B10
SCHEMBL29573378 0.77 HTR2A (0.78) HTR2AHTR2CKCNH2HSD17B10

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-20190160043-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF REM SLEEP BEHAVIOR DISORDER AXOVANT SCIENCES LTD. (BM) 2019-05-30 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-20190160043-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF REM SLEEP BEHAVIOR DISORDER HTR2A, HTR2C, HTR2B HTR2A 1/4885HTR2C 2/4885KCNH2 2867/4885

“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.