SCHEMBL14088902

SCHEMBL14088902

Cc1ccc(NC2CCN(CC3(CCNC(=O)OC(C)(C)C)CCC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 8/20 0.39
FPR3 P25089 4/20 0.38
FPR2 P25090 4/20 0.38
ROCK2 O75116 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL4690271 0.89 DRD2 (0.42) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL13980742 0.78 DRD2 (0.40) DRD2FPR3FPR2SIGMAR1
SCHEMBL14088903 0.77 CA12 (0.45) ALDH1A1L3MBTL1ROCK2CA12CA1
SCHEMBL4690037 0.75 CA12 (0.44) ALDH1A1L3MBTL1FPR2CA12CA1
SCHEMBL30048101 0.73 CARM1 (0.60) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL14088901 0.73 DRD2 (0.45) ALDH1A1DRD2CA12CA1CA2
SCHEMBL4691176 0.71 KCNA3 (0.38) ALDH1A1L3MBTL1DRD2
SCHEMBL14088923 0.70 CA12 (0.45) ALDH1A1MAPTL3MBTL1CA12CA1
SCHEMBL4115820 0.70 ALDH1A1 (0.77) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4688012 0.70 CA12 (0.47) ALDH1A1L3MBTL1CA12CA1CA2

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-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. 2008-08-14 US disclosed
US-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 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-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same CYP4F2, CYP1A2, CYP4B1 ALDH1A1 383/4885NPC1 3128/4885MAPT 3833/4885

“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.