SCHEMBL24310259

SCHEMBL24310259

O=C1N(I)CC[C@@]1(Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 1/20 0.35

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
SCHEMBL24309242 0.87 OPRL1 (0.43) KMT2AKDM4EPDE4APDE4BPDE4C
SCHEMBL24162066 0.85 KMT2A (0.43) KMT2AKDM4EPDE4APDE4BPDE4C
SCHEMBL24596435 0.72 OPRL1 (0.43) KMT2AKDM4EPDE4APDE4BPDE4C
SCHEMBL24309149 0.68 OPRM1 (0.42) KMT2ASLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL24309156 0.68 MEN1 (0.42) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24596440 0.63 POLB (0.44) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL7677681 0.63 OPRM1 (0.44) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL22365590 0.62 SIGMAR1 (0.44) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL6042898 0.62 KMT2A (0.82) KMT2AKDM4EOPRM1OPRL1
SCHEMBL6577299 0.60 OPRM1 (0.46) KMT2AKDM4ESLC6A2SLC6A4SLC6A3

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-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-04-21 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-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 KMT2A 1092/4885KDM4E 988/4885PDE4A 2779/4885

“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.