SCHEMBL25823328

SCHEMBL25823328

CN1CCN(CC2(C#N)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD11B1 P28845 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 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
SCHEMBL25820301 0.86 OPRM1 (0.33) OPRM1HSD11B1
SCHEMBL25001588 0.79 HSD11B1 (0.31) HSD11B1
SCHEMBL18202941 0.79 HSD11B1 (0.33) OPRM1HSD11B1
SCHEMBL18459239 0.73 HSD11B1 (0.38) HSD11B1
SCHEMBL18202957 0.72 KDM1A (0.33) OPRM1HSD11B1
SCHEMBL18202931 0.72 OPRM1 (0.36) OPRM1HSD11B1
SCHEMBL25001378 0.71 USP2 (0.30)
SCHEMBL21337271 0.70 MEN1 (0.31) ALDH1A1
SCHEMBL25094688 0.70 OPRM1 (0.38) OPRM1ALDH1A1
SCHEMBL19276538 0.69 ACHE (0.43) OPRM1NPSR1HSD11B1ALDH1A1

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 OPRM1 3589/4885NPSR1 3444/4885HSD11B1 4623/4885

“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.