SCHEMBL19424166

SCHEMBL19424166

C[C@H]1CN(C)CCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL13067273 1.00 OPRM1 (0.41) OPRM1OPRK1KMT2ALMNA
SCHEMBL25465671 0.78 OPRM1 (0.33) OPRM1OPRK1KMT2A
SCHEMBL25465669 0.78 OPRM1 (0.33) OPRM1OPRK1KMT2A
SCHEMBL19417140 0.76 OPRM1 (0.39) OPRM1OPRK1KMT2ALMNA
SCHEMBL21181787 0.76 OPRM1 (0.39) OPRM1OPRK1KMT2ALMNA
Nitrobenzene SCHEMBL27814899 0.76 ALDH1A1 (0.46) OPRM1OPRK1KMT2ALMNA
SCHEMBL19725924 0.75 OPRM1 (0.38) OPRM1OPRK1KMT2ALMNA
SCHEMBL22148186 0.75 OPRM1 (0.38) OPRM1OPRK1KMT2ALMNA
SCHEMBL25820270 0.75 OPRM1 (0.38) OPRM1OPRK1KMT2ALMNA
SCHEMBL14184047 0.74

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-20170283398-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-10-05 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-20170283398-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF EGFR, ERBB2, IGF1R OPRM1 2554/4885OPRK1 2732/4885KMT2A 1688/4885

“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.