SCHEMBL19798015

SCHEMBL19798015

CC(C)C(C)(C)C(C)(C)CN

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL299050 0.77 CYP2D6 (0.33) CYP2D6
SCHEMBL3833786 0.73
SCHEMBL20863059 0.71 CYP2D6 (0.54) CYP2D6
SCHEMBL20610173 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL23425128 0.69 CYP2D6 (0.32) CYP2D6ALDH1A1
SCHEMBL643574 0.67 CYP2D6 (0.41) CYP2D6ALDH1A1
SCHEMBL20610036 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20618378 0.67 ALDH1A1 (0.50) ALDH1A1
SCHEMBL21013278 0.66
SCHEMBL3835379 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023066980-A1 4-AMINOPHENYLPHOSPHORYLCHOLINE COMPOUNDS FOR BLOCKING C-REACTIVE PROTEIN PENTRACOR GMBH (DE) 2023-04-27 WO disclosed
US-20190292149-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA LP (US) 2019-09-26 US disclosed
US-10202344-B2 Aryl substituted indoles and the use thereof PURDUE PHARMA L.P. (US) 2019-02-12 US disclosed
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. 2018-01-25 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 (3 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-20190292149-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 CYP2D6 190/4885ALDH1A1 559/4885
US-20180022699-A1 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF TRPC5, TRPV5, TRPV1 CYP2D6 190/4885ALDH1A1 559/4885
US-10202344-B2 Aryl substituted indoles and the use thereof TRPC5, TRPV5, TRPV1 CYP2D6 190/4885ALDH1A1 559/4885

“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.