SCHEMBL17778466

SCHEMBL17778466

CC(C)NC(=O)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ TRPV4 Q9HBA0 4/20 0.39
▸ TACR2 P21452 1/20 0.39
▸ TACR3 P29371 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPY2R P49146 1/20 0.38

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
SCHEMBL17769444 1.00 DPP4 (0.41) DPP4DPP7TRPV4TACR2TACR3
SCHEMBL17769661 0.88 IRAK4 (0.39) KCNH2IRAK4ALDH1A1CYP2C19KDM4E
SCHEMBL20550603 0.88 ALDH1A1 (0.47) KCNH2IRAK4ALDH1A1CYP2C19NPSR1
SCHEMBL17778371 0.88 ALDH1A1 (0.45) KCNH2IRAK4ALDH1A1CYP2C19KDM4E
SCHEMBL20550479 0.88 ALDH1A1 (0.42) KCNH2IRAK4ALDH1A1CYP2C19NPSR1
SCHEMBL17618383 0.86 CNR2 (0.41) DPP4DPP7TRPV4TACR2TACR3
SCHEMBL17769468 0.85 ALDH1A1 (0.43) KCNH2ALDH1A1CYP2C19KDM4ECYP2C9
SCHEMBL17769507 0.85 ALDH1A1 (0.43) KCNH2ALDH1A1CYP2C19KDM4ECYP2C9
SCHEMBL17778498 0.84 PHGDH (0.41) TRPV1ALDH1A1CYP2C19NPSR1KDM4E
SCHEMBL17778423 0.81 KDM4E (0.42) KCNH2TRPV1ALDH1A1KDM4EPOLB

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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 — — US disclosed
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DPP4 2237/4885DPP7 2592/4885TRPV4 4249/4885

“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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