SCHEMBL5125632

SCHEMBL5125632

O=C(C1=NOC2(CCN(C(=S)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.46
TRPV1 Q8NER1 2/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 3/20 0.45
PHGDH O43175 3/20 0.43
MALT1 Q9UDY8 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
KCNH2 Q12809 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL5121480 0.93 TRPA1 (0.51) TRPA1TRPV1LMNAPKMMAPT
SCHEMBL5119463 0.91 TRPA1 (0.47) TRPA1TRPV1LMNAPKMMAPT
SCHEMBL1457648 0.90 TRPA1 (0.46) TRPA1TRPV1MALT1KCNH2TRPM8
SCHEMBL5126853 0.86 SMN1; SMN2 (0.51) TRPA1TRPV1LMNAMAPTPHGDH
SCHEMBL5126451 0.86 TRPV1 (0.52) TRPA1TRPV1KCNH2TRPM8MEN1
SCHEMBL5120202 0.85 TRPV1 (0.59) TRPA1TRPV1KCNH2TRPM8
SCHEMBL5126475 0.85 TRPV1 (0.48) TRPA1TRPV1MAPTKCNH2TRPM8
SCHEMBL1457191 0.83 TRPA1 (0.50) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457533 0.83 TRPA1 (0.46) TRPA1TRPV1MAPTMALT1KCNH2
SCHEMBL1457505 0.82 TRPA1 (0.53) TRPA1TRPV1LMNAMAPTMALT1

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 TRPA1 720/4885TRPV1 675/4885LMNA 421/4885

“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.