SCHEMBL5122773

SCHEMBL5122773

N#Cc1cccc(NC(=O)N2CCC3(CC2)CC(C(=O)N2CCN(c4ncccc4Cl)CC2)=NO3)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.49
ALDH1A1 P00352 3/20 0.49
USP2 O75604 2/20 0.49
CYP2C19 P33261 1/20 0.49
CYP2D6 P10635 3/20 0.48
CYP1A2 P05177 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TRPV1 Q8NER1 3/20 0.47
TRPA1 O75762 1/20 0.47
KCNH2 Q12809 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
HIF1A Q16665 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5120119 0.91 MALT1 (0.52) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5119744 0.90 TRPV1 (0.49) CYP3A4USP2CYP2C19TRPV1TRPA1
SCHEMBL5127658 0.90 TRPV1 (0.50) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5115164 0.90 TRPV1 (0.49) TRPV1TRPA1KCNH2TRPM8
SCHEMBL1456790 0.89 TRPA1 (0.42) CYP3A4CYP2D6CYP1A2MAPK1TRPV1
SCHEMBL5126435 0.89 TRPV1 (0.55) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5119643 0.88 TRPV1 (0.48) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5126451 0.88 TRPV1 (0.52) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5115042 0.88 TRPV1 (0.48) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5126530 0.87 TRPV1 (0.56) MAPK1TRPV1TRPA1KCNH2TRPM8

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 CYP3A4 59/4885ALDH1A1 281/4885USP2 4839/4885

“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.