SCHEMBL25875013

SCHEMBL25875013

C=C(CC)N1CCN(Cc2ccccc2)C2(CCNC2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A9 P48067 2/20 0.37
CYP2D6 P10635 4/20 0.34
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RIPK1 Q13546 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
CXCR3 P49682 1/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL25875393 0.89 OPRL1 (0.40) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL25874982 0.88 OPRM1 (0.45) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL25875253 0.85 CYP2D6 (0.46) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL25875252 0.85 CYP2D6 (0.46) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL21104902 0.85 CYP2D6 (0.46) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL25311909 0.85 OPRL1 (0.42) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL19851188 0.85 OPRD1 (0.43) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL25312897 0.82 RAB9A (0.42) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL25310611 0.82 CRBN (0.40) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL25875273 0.82 RAB9A (0.42) OPRL1OPRD1OPRM1OPRK1SLC6A9

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-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME APTINYX INC (US) 2023-07-06 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-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME ACE, ACE2, PREP OPRL1 1783/4885OPRD1 2074/4885OPRM1 2893/4885

“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.