SCHEMBL25065698

SCHEMBL25065698

N#Cc1cc(Br)cnc1N1CC[C@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.49
AR P10275 1/20 0.47
CHUK O15111 1/20 0.46
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
JAK2 O60674 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
ABL1 P00519 3/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39

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
SCHEMBL22031993 1.00 OPRK1 (0.49) OPRK1ARCHUKKDM4EMEN1
SCHEMBL22031992 1.00 OPRK1 (0.49) OPRK1ARCHUKKDM4EMEN1
SCHEMBL20474638 0.89 OPRK1 (0.42) OPRK1ARCHUKKDM4EMEN1
SCHEMBL17387847 0.85 OPRK1 (0.45) OPRK1ARJAK2CHRNB2CHRNB4
SCHEMBL15971696 0.85 OPRK1 (0.45) OPRK1ARJAK2CHRNB2CHRNB4
SCHEMBL22996379 0.81 OPRK1 (0.42) OPRK1ARJAK2CHRNB2CHRNB4
SCHEMBL22996455 0.78 CNR2 (0.50) OPRK1ARKDM4EMEN1CASP1
SCHEMBL23754091 0.77 CHRNB2 (0.41) OPRK1ARJAK2CHRNB2CHRNB4
SCHEMBL29906538 0.77 CHRNB2 (0.41) OPRK1ARJAK2CHRNB2CHRNB4
SCHEMBL19343217 0.77 CNR2 (0.52) OPRK1ARKDM4EMEN1CASP1

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-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 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-20230055250-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K5, MAP4K1 OPRK1 1785/4885AR 4061/4885CHUK 238/4885

“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.