SCHEMBL5115550

SCHEMBL5115550

Cc1ccc(CNC(=O)N2CCC3(CC2)CC(C(=O)N2CCN(c4ncccc4Cl)CC2)=NO3)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.49
CHRM4 P08173 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TRPA1 O75762 1/20 0.42
KCNH2 Q12809 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 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
SCHEMBL5117962 0.92 P2RY12 (0.51) P2RY12CHRM4TRPA1TRPV1PDGFRB
SCHEMBL1457229 0.92 TRPA1 (0.54) P2RY12CHRM4TRPA1KCNH2TRPM8
SCHEMBL1457523 0.91 P2RY12 (0.48) P2RY12CHRM4MEN1KMT2ATRPA1
SCHEMBL1457138 0.89 P2RY12 (0.41) P2RY12CHRM4TRPA1TRPV1
SCHEMBL5119085 0.88 TRPV1 (0.57) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5125630 0.85 CHRM4 (0.48) CHRM4TRPA1KCNH2TRPM8TRPV1
SCHEMBL5111760 0.85 CHRM4 (0.47) CHRM4TRPA1KCNH2TRPM8TRPV1
SCHEMBL5128423 0.85 CHRM4 (0.55) P2RY12CHRM4TRPA1KCNH2TRPM8
SCHEMBL5121475 0.83 RBP4 (0.49) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5127658 0.82 TRPV1 (0.50) P2RY12TRPA1KCNH2TRPM8TRPV1

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 967/4885CHRM4 2936/4885MEN1 941/4885

“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.