SCHEMBL25820301

SCHEMBL25820301

CN1CCC2(CC1)CCN(CC1(C#N)CC1)CC2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.33
OPRL1 P41146 1/20 0.33
HSD11B1 P28845 1/20 0.32
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
USP2 O75604 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
SCHEMBL25823328 0.86 OPRM1 (0.36) OPRM1HSD11B1
SCHEMBL25001378 0.81 USP2 (0.30) USP2
SCHEMBL18202941 0.79 HSD11B1 (0.33) OPRM1OPRL1HSD11B1
SCHEMBL18459239 0.73 HSD11B1 (0.38) HSD11B1
SCHEMBL25822472 0.72 TSHR (0.33) CYP1A2CYP2D6ALOX15
SCHEMBL18202957 0.72 KDM1A (0.33) OPRM1OPRL1HSD11B1
SCHEMBL18202931 0.72 OPRM1 (0.36) OPRM1OPRL1HSD11B1
SCHEMBL25820305 0.71 TSHR (0.32) CYP2D6
SCHEMBL25001588 0.71 HSD11B1 (0.31) HSD11B1
SCHEMBL25094688 0.70 OPRM1 (0.38) OPRM1USP2

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
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 3589/4885OPRL1 2323/4885HSD11B1 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.