SCHEMBL3490712

SCHEMBL3490712

NCC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
EPHX2 P34913 1/20 0.43
USP30 Q70CQ3 2/20 0.42
NAMPT P43490 1/20 0.42
FPR2 P25090 10/20 0.40
FPR3 P25089 1/20 0.40
HDAC11 Q96DB2 1/20 0.39
FPR1 P21462 2/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.38
CSF1R P07333 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
SCHEMBL3493256 0.86 MMP13 (0.45) TRPV1EPHX2
SCHEMBL3492754 0.84 NAMPT (0.48) TRPV1NAMPTCSF1R
SCHEMBL3492949 0.81 USP30 (0.48) TRPV1EPHX2USP30NAMPTFPR2
SCHEMBL3494267 0.79 HIF1A (0.47) TRPV1EPHX2
SCHEMBL3493785 0.78 AKT1 (0.55) CSF1R
SCHEMBL3495308 0.77 NAMPT (0.39) NAMPT
SCHEMBL3492751 0.77 GPBAR1 (0.36) USP30
SCHEMBL27008471 0.76 TRPV1 (0.44) TRPV1EPHX2USP30NAMPTFPR2
SCHEMBL27008658 0.76 TRPV1 (0.44) TRPV1EPHX2USP30NAMPTFPR2
SCHEMBL3494465 0.75 PHGDH (0.44) USP30

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 TRPV1 1203/4885EPHX2 1451/4885USP30 3989/4885

“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.