SCHEMBL19243166

SCHEMBL19243166

CCC(C)C(C)CN(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.37
OPRM1 P35372 1/20 0.37
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL19072799 1.00 SLC22A1 (0.37) SLC22A1OPRM1HTR2AHRH1TDP1
SCHEMBL20074403 0.85 SLC22A1 (0.36) SLC22A1OPRM1
SCHEMBL8756248 0.80 SLC22A1 (0.34) SLC22A1OPRM1
SCHEMBL15314156 0.77 SLC22A1 (0.32) SLC22A1OPRM1
SCHEMBL19432943 0.77
SCHEMBL24179178 0.77 PIK3CD (0.31)
SCHEMBL21375563 0.77 HTR2A (0.32) SLC22A1OPRM1HTR2AHRH1TDP1
SCHEMBL24324108 0.77 SLC22A1 (0.32) SLC22A1OPRM1
SCHEMBL18848833 0.77 PIK3CD (0.31)
SCHEMBL15142570 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190016879-A1 WATER REPELLENT COMPOSITION AND PROCESS FOR PRODUCING MOISTURE PERMEABLE WATERPROOF FILM COATED ARTICLE AGC Inc. (JP) 2019-01-17 US disclosed
US-20170233330-A1 Process for the preparation of 3-[(1R,2R)-3-(Dimethylamino)-1-ethyl-2-methylpropyl]-phenol SANDOZ AG (CH) 2017-08-17 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-20170233330-A1 Process for the preparation of 3-[(1R,2R)-3-(Dimethylamino)-1-ethyl-2-methylpropyl]-phenol AGTR1, SAT1, TMT1A SLC22A1 1704/4885OPRM1 1153/4885HTR2A 1978/4885

“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.