SCHEMBL11263002

SCHEMBL11263002

COc1cc(OC)cc(C2CCCNC2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.53
HTR2C P28335 7/20 0.51
HTR2B P41595 2/20 0.48
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1E P28566 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL11264196 0.95 CYP2D6 (0.49) HTR2AHTR2CHTR2BHTR1AHTR1D
Hydrochloric Acid SCHEMBL11269391 0.93 CYP2D6 (0.47) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL10401509 0.91 HTR2C (0.56) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL2863498 0.83 HTR2C (0.69) HTR2AHTR2C
SCHEMBL567956 0.83 HTR2C (0.69) HTR2AHTR2C
SCHEMBL3037448 0.83 HTR2C (0.69) HTR2AHTR2C
SCHEMBL29064016 0.83 ALDH1A1 (0.48) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL567518 0.82 HTR2C (0.70) HTR2AHTR2C
SCHEMBL2145393 0.82 HTR2A (0.55) HTR2AHTR2CHTR6
SCHEMBL28301764 0.82 HTR2A (0.55) HTR2AHTR2CHTR6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909170-A1 SUBSTITUTED CARBAMATE COMPOUNDS AND THEIR USE AS TRANSIENT RECEPTOR POTENTIAL (TRP) CHANNEL ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
US-20150218141-A1 SUBSTITUTED CARBAMATE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-08-06 US disclosed
CN-104703970-A Substituted carbamate compounds and their use as transient receptor potential (TRP) channel antagonists HOFFMANN LA ROCHE 2015-06-10 CN disclosed
WO-2014060341-A1 SUBSTITUTED CARBAMATE COMPOUNDS AND THEIR USE AS TRANSIENT RECEPTOR POTENTIAL (TRP) CHANNEL ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
EP-0062018-A1 Novel phenyl-piperidines Aktiebolaget Hässle (SE) 1982-10-06 EP 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-20150218141-A1 SUBSTITUTED CARBAMATE COMPOUNDS TRPA1, TRPV1, TRPV3 HTR2A 793/4885HTR2C 819/4885HTR2B 569/4885

“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.