SCHEMBL6937547

SCHEMBL6937547

NC1(OC=O)CCC(c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
ATP1A1 P05023 3/20 0.39
ATP1B1 P05026 3/20 0.39
ATP1A3 P13637 3/20 0.39
ATP1B2 P14415 3/20 0.39
ATP1A2 P50993 3/20 0.39
ATP1B3 P54709 3/20 0.39
FXYD2 P54710 3/20 0.39
ATP1A4 Q13733 3/20 0.39
KDM1A O60341 10/20 0.37
MAOA P21397 10/20 0.37
MAOB P27338 10/20 0.37
SGPL1 O95470 2/20 0.37
S1PR1 P21453 2/20 0.37
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL4993041 0.90 SLC18A3 (0.40) TRPA1KDM1AMAOAMAOBSLC18A3
SCHEMBL27163338 0.79 TRPA1 (0.43) TRPA1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL4601566 0.74 HTR3A (0.38) KDM1ASLC18A3
SCHEMBL4601344 0.74 ESR2 (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL4600362 0.72 DRD2 (0.42) KDM1AMAOAMAOB
SCHEMBL4600111 0.71 HTR2C (0.54) KDM1A
SCHEMBL12381916 0.70 TRPA1 (0.54) TRPA1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL6937542 0.70 GRM4 (0.49) TRPA1SGPL1
SCHEMBL4407230 0.69 KDM1A (0.50) KDM1AMAOAMAOB
Formic Acid SCHEMBL27499337 0.69 TRPA1 (0.53) TRPA1ATP1A1ATP1B1ATP1A3ATP1B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296938-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE Pfizer Limited (GB) 2003-04-02 EP disclosed
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER, INC. 2002-05-02 US disclosed
WO-2002002513-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE PFIZER LIMITED (GB) 2002-01-10 WO 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-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase ENGASE, ENPEP, CPN1 TRPA1 4084/4885ATP1A1 1900/4885ATP1B1 2183/4885

“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.