SCHEMBL16264337

SCHEMBL16264337

CCC(CCC(C)C)CNC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.33
KDM4E B2RXH2 2/20 0.30

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
SCHEMBL6271194 0.89 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRKDM4E
SCHEMBL27373535 0.83 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHR
SCHEMBL20056438 0.83
SCHEMBL24792680 0.82 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHR
SCHEMBL24872306 0.80 KISS1R (0.35) KDM4E
SCHEMBL24446202 0.80 KISS1R (0.35) KDM4E
SCHEMBL18923159 0.79
SCHEMBL10306197 0.79
SCHEMBL23945844 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHR
SCHEMBL22268686 0.78 CACNA2D1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019204781-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE DESIGN THERAPEUTICS INC. (US) 2019-10-24 WO disclosed
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 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-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885CYP3A4 4447/4885TSHR 1410/4885

“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.