SCHEMBL25001374

SCHEMBL25001374

CN1CCC2(CC1)CCN(CCF)CC2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA1B P35368 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL24589644 0.79 KDM4E (0.40) CYP2D6CYP1A2ALOX15TSHRDRD2
SCHEMBL2760248 0.78 ALOX15 (0.43) CYP2D6CYP1A2ALOX15
SCHEMBL1753867 0.77 TSHR (0.43) CYP1A2TSHRHIF1AMAPK1
SCHEMBL24378840 0.77 WNT1 (0.34) OPRM1OPRD1OPRK1CYP2D6CYP1A2
SCHEMBL12325471 0.76 TSHR (0.42) OPRM1OPRD1OPRK1CYP2D6CYP1A2
SCHEMBL18202982 0.76 OPRM1 (0.36) OPRM1OPRD1OPRK1ALOX15DRD2
SCHEMBL25650609 0.74 TSHR (0.34) CYP2D6CYP1A2ALOX15TSHRHIF1A
SCHEMBL8369489 0.74
SCHEMBL25001376 0.74 HSD11B1 (0.38) CYP2D6CYP1A2ALOX15TSHRDRD2
SCHEMBL22477401 0.74 CYP2D6 (0.41) CYP2D6CYP1A2ALOX15TSHRSMN1; SMN2

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 3 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
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 EP 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 3589/4885OPRD1 3746/4885OPRK1 3762/4885

“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.