SCHEMBL8006526

SCHEMBL8006526

N#CC(C#N)=Cc1ccc(O[C@H]2CCC[C@H]2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.50
▸ MAPT P10636 8/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ PMP22 Q01453 2/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ MEN1 O00255 7/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ LMNA P02545 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ NPY5R Q15761 1/20 0.48

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
SCHEMBL923070 1.00 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ENPSR1CYP1A2
SCHEMBL923490 1.00 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ENPSR1CYP1A2
SCHEMBL923071 1.00 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ENPSR1CYP1A2
SCHEMBL8012447 1.00 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ENPSR1CYP1A2
SCHEMBL12943261 0.97 NPY1R (0.51) ALDH1A1MAPTKDM4ENPSR1CYP1A2
SCHEMBL924373 0.97 NPY1R (0.51) ALDH1A1MAPTKDM4ENPSR1CYP1A2
SCHEMBL924372 0.97 NPY1R (0.51) ALDH1A1MAPTKDM4ENPSR1CYP1A2
SCHEMBL12907801 0.83 NPY1R (0.43) ALDH1A1MAPTKDM4ENPSR1CYP1A2
SCHEMBL12907788 0.83 NPY1R (0.43) ALDH1A1MAPTKDM4ENPSR1CYP1A2
SCHEMBL12907789 0.80 NPY1R (0.46) ALDH1A1MAPTKDM4ENPSR1CYP1A2

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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 — — US disclosed
WO-2009100827-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 — — 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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 ALDH1A1 1899/4885MAPT 3604/4885KDM4E 1690/4885

“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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