SCHEMBL24754648

SCHEMBL24754648

CC(C)C1CC(c2ccccn2)CN1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRL1 P41146 1/20 0.39
KDM5A P29375 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PDE9A O76083 1/20 0.33
PDE10A Q9Y233 2/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HSD11B1 P28845 1/20 0.32
PDE4D Q08499 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL25760130 0.76 HRH3 (0.40) OPRM1OPRL1
SCHEMBL12030762 0.74 PDE9A (0.43) OPRK1OPRM1OPRD1OPRL1KDM5A
SCHEMBL24434634 0.73 OPRM1 (0.44) OPRK1OPRM1OPRD1OPRL1KDM5A
SCHEMBL25760132 0.72 CYP11B2 (0.44) OPRM1OPRL1
SCHEMBL25839819 0.70 DRD4 (0.39) ALDH1A1
SCHEMBL2737376 0.70 KDM5A (0.48) OPRK1OPRM1OPRD1OPRL1KDM5A
SCHEMBL12533655 0.69 OPRM1 (0.49) OPRK1OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL12533662 0.69 OPRM1 (0.49) OPRK1OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL3392695 0.69 OPRM1 (0.49) OPRK1OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL12533665 0.69 OPRM1 (0.49) OPRK1OPRM1OPRD1OPRL1ALDH1A1

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-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 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-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL OPRK1 4190/4885OPRM1 4652/4885OPRD1 4387/4885

“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.