SCHEMBL935570

SCHEMBL935570

O=Cc1ccc(O[C@@H]2CCCC[C@H]2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ABL1 P00519 4/20 0.42
▸ PRKAB2 O43741 2/20 0.41
▸ PRKAG1 P54619 2/20 0.41
▸ PRKAA2 P54646 2/20 0.41
▸ PRKAA1 Q13131 2/20 0.41
▸ PRKAG3 Q9UGI9 2/20 0.41
▸ PRKAG2 Q9UGJ0 2/20 0.41
▸ PRKAB1 Q9Y478 2/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37

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
SCHEMBL7997196 1.00 NPY1R (0.58) NPY1RNPY2RNPY4RNPY5RALDH1A1
SCHEMBL8010279 0.98 NPY1R (0.55) NPY1RNPY2RNPY4RNPY5RALDH1A1
SCHEMBL8007657 0.98 NPY1R (0.55) NPY1RNPY2RNPY4RNPY5RALDH1A1
SCHEMBL923822 0.98 NPY1R (0.55) NPY1RNPY2RNPY4RNPY5RALDH1A1
SCHEMBL924394 0.98 NPY1R (0.55) NPY1RNPY2RNPY4RNPY5RALDH1A1
SCHEMBL923820 0.98 NPY1R (0.55) NPY1RNPY2RNPY4RNPY5RALDH1A1
SCHEMBL20022643 0.86 NPY1R (0.73) NPY1RNPY2RNPY4RNPY5RALDH1A1
SCHEMBL1496528 0.77 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RALDH1A1
SCHEMBL1872677 0.77 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RALDH1A1
SCHEMBL1874490 0.77 NPY1R (0.58) NPY1RNPY2RNPY4RNPY5RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 — — 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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 NPY1R 3193/4885NPY2R 2218/4885NPY4R 1075/4885

“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.

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