SCHEMBL25875252

SCHEMBL25875252

CC(=O)N1CCN(Cc2ccccc2)[C@]2(CCNC2=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 2/20 0.46
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
GFER P55789 1/20 0.40
SLC6A9 P48067 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
AMPD2 Q01433 1/20 0.38

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
SCHEMBL25875253 1.00 CYP2D6 (0.46) CYP2D6TSHRCYP3A4OPRM1OPRL1
SCHEMBL21104902 1.00 CYP2D6 (0.46) CYP2D6TSHRCYP3A4OPRM1OPRL1
SCHEMBL25311909 0.91 OPRL1 (0.42) CYP2D6TSHRCYP3A4OPRM1OPRL1
SCHEMBL25875393 0.90 OPRL1 (0.40) CYP2D6TSHRCYP3A4OPRM1OPRL1
SCHEMBL25874982 0.89 OPRM1 (0.45) CYP2D6TSHRCYP3A4OPRM1OPRL1
SCHEMBL19851188 0.88 OPRD1 (0.43) CYP2D6OPRM1OPRL1OPRD1OPRK1
SCHEMBL25310611 0.87 CRBN (0.40) CYP2D6TSHRCYP3A4OPRM1OPRL1
SCHEMBL25875274 0.87 RAB9A (0.42) CYP2D6TSHRCYP3A4OPRM1OPRL1
SCHEMBL25312897 0.87 RAB9A (0.42) CYP2D6TSHRCYP3A4OPRM1OPRL1
SCHEMBL25875273 0.87 RAB9A (0.42) CYP2D6TSHRCYP3A4OPRM1OPRL1

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-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME APTINYX INC (US) 2023-07-06 US disclosed
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 CYP2D6 628/4885TSHR 3352/4885CYP3A4 418/4885

“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.