SCHEMBL3495308

SCHEMBL3495308

NCC1(C(=O)Nc2ccc(F)cn2)CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
DEGS1 O15121 3/20 0.38
FGFR4 P22455 1/20 0.37
CXCR2 P25025 1/20 0.37
GRM5 P41594 3/20 0.37
AKT1 P31749 1/20 0.36
TRPA1 O75762 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
FFAR2 O15552 1/20 0.35
POLB P06746 1/20 0.35
PRKAA2 P54646 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KCNH2 Q12809 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL3494822 0.86 RAB9A (0.47) FGFR4
SCHEMBL3495082 0.86 L3MBTL1 (0.47) GRM5
SCHEMBL3494267 0.85 HIF1A (0.47) DEGS1FGFR4
SCHEMBL3493398 0.84 JAK2 (0.51) NAMPTOPRD1OPRK1JAK2JAK1
SCHEMBL3492714 0.81 TRPA1 (0.38) NAMPTCXCR2GRM5AKT1TRPA1
SCHEMBL3490712 0.77 TRPV1 (0.44) NAMPT
SCHEMBL3494465 0.77 PHGDH (0.44)
SCHEMBL3492324 0.76 AKT2 (0.58) AKT1KCNH2JAK2JAK1
SCHEMBL3490987 0.71 MAPT (0.46) JAK2JAK1
SCHEMBL3494595 0.71 WNT3A (0.45) NAMPTOPRD1OPRK1JAK2JAK1

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
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 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-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 NAMPT 3072/4885DEGS1 2948/4885FGFR4 2897/4885

“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.