SCHEMBL25816541

SCHEMBL25816541

Cc1cnc(P)c(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
APLNR P35414 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CYP1A2 P05177 1/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
KMT2A Q03164 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL2738314 0.84 CCR1 (0.38) CCR1CCR5CCR8NOS3NOS1
SCHEMBL13438492 0.77 CCR1 (0.37) CCR1CCR5CCR8NOS3NOS1
SCHEMBL21736908 0.76 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS1
SCHEMBL2737294 0.76 LMNA (0.42) CCR1CCR5CCR8NOS3NOS1
SCHEMBL2737356 0.76 NOS3 (0.56) CCR1CCR5CCR8NOS3NOS1
SCHEMBL10032045 0.76 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS1
SCHEMBL12191690 0.76 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS1
SCHEMBL24867805 0.76
SCHEMBL15292546 0.72 PIK3R1 (0.36) CCR1CCR5CCR8NOS3NOS1
SCHEMBL20086563 0.72 NOS3 (0.38) CCR1CCR5CCR8NOS3NOS1

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-11702407-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-07-18 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-11702407-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 CCR1 1781/4885CCR5 1139/4885CCR8 1609/4885

“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.