SCHEMBL30720958

SCHEMBL30720958

COc1ccc(-c2nsc(C3=CCN(C(=O)OC(C)(C)C)CC3)n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.48
GRM5 P41594 5/20 0.48
GPR119 Q8TDV5 4/20 0.48
NAMPT P43490 1/20 0.44
SMPD3 Q9NY59 2/20 0.44
CFTR P13569 1/20 0.44
QDPR P09417 1/20 0.44
PDK4 Q16654 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
JAK1 P23458 1/20 0.42
PDE4B Q07343 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL20117184 1.00 GRM1 (0.48) GRM1GRM5GPR119NAMPTSMPD3
SCHEMBL23411537 0.85 QDPR (0.59) GRM1GRM5NAMPTSMPD3CFTR
SCHEMBL29891552 0.85 QDPR (0.59) GRM1GRM5NAMPTSMPD3CFTR
SCHEMBL22358258 0.81 GPR119 (0.41) GRM1GRM5GPR119NAMPTPDK4
SCHEMBL20116505 0.78 GPR119 (0.41) GRM1GRM5GPR119NAMPTPDK4
SCHEMBL24265667 0.78 GRM5 (0.47) GRM1GRM5GPR119NAMPTSMPD3
SCHEMBL24266176 0.78 ALOX5 (0.51) GRM1GRM5NAMPTQDPRPDE4B
SCHEMBL30424931 0.78 ALOX5 (0.51) GRM1GRM5NAMPTQDPRPDE4B
SCHEMBL24265038 0.78 GRM1 (0.53) GRM1GRM5NAMPTCFTRQDPR
SCHEMBL30309745 0.78 GRM1 (0.53) GRM1GRM5NAMPTCFTRQDPR

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 GRM1 540/4885GRM5 68/4885GPR119 2922/4885

“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.