SCHEMBL5117962

SCHEMBL5117962

COc1ccc(CNC(=O)N2CCC3(CC2)CC(C(=O)N2CCN(c4ncccc4Cl)CC2)=NO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.51
PDGFRB P09619 3/20 0.46
PDGFRA P16234 3/20 0.46
PI4KB Q9UBF8 1/20 0.44
RBP4 P02753 1/20 0.44
CHRM4 P08173 1/20 0.43
TRPA1 O75762 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
KIT P10721 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL5115550 0.92 P2RY12 (0.49) P2RY12PDGFRBPDGFRACHRM4TRPA1
SCHEMBL1457424 0.90 TRPA1 (0.43) P2RY12PDGFRBPDGFRARBP4TRPA1
SCHEMBL1457229 0.89 TRPA1 (0.54) P2RY12PDGFRBPDGFRACHRM4TRPA1
SCHEMBL5127608 0.88 TRPV1 (0.54) RBP4TRPA1TRPV1
SCHEMBL1457523 0.88 P2RY12 (0.48) P2RY12RBP4CHRM4TRPA1TRPV1
SCHEMBL5127551 0.84 RBP4 (0.62) P2RY12RBP4TRPA1TRPV1
SCHEMBL5125630 0.83 CHRM4 (0.48) RBP4CHRM4TRPA1TRPV1
SCHEMBL5128423 0.83 CHRM4 (0.55) P2RY12CHRM4TRPA1TRPV1KIT
SCHEMBL5111760 0.83 CHRM4 (0.47) RBP4CHRM4TRPA1TRPV1
SCHEMBL1457138 0.83 P2RY12 (0.41) P2RY12CHRM4TRPA1TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 P2RY12 967/4885PDGFRB 1195/4885PDGFRA 683/4885

“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.