SCHEMBL5376756

SCHEMBL5376756

CN(C)C(=O)n1cnc(Sc2cc(F)c(C#N)cc2F)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
EGLN2 Q96KS0 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
GRM4 Q14833 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL9083475 0.89 LMNA (0.31) ALDH1A1EGLN2PDE4APDE4BPDE4C
SCHEMBL5376780 0.75 PTGDR2 (0.34) CACNA1GCACNA1HCACNA1IEGLN2PDE4A
SCHEMBL5381803 0.70 RORC (0.38) ALDH1A1
SCHEMBL11376332 0.69 ACHE (0.36)
SCHEMBL9086154 0.66 TRPV4 (0.39) EGLN2GRM4TRPV4
SCHEMBL9085198 0.65 PTGDR2 (0.33) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL5374063 0.61 DPP4 (0.36) ALDH1A1
SCHEMBL18179632 0.61 ALDH1A1 (0.34) ALDH1A1
SCHEMBL30706985 0.60 KMT2A (0.36) ALDH1A1
SCHEMBL5376216 0.60 NPC1 (0.52) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238720-B2 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2007-07-03 US disclosed
EP-1258480-B1 Pharmaceutical use of N-Carbamoylazole derivatives EISAI CO LTD (JP) 2004-11-10 EP disclosed
EP-1258480-B1 Pharmaceutical use of N-Carbamoylazole derivatives EISAI CO LTD (JP) 2004-11-10 EP disclosed
US-20040186153-A1 Pharmaceutical use of N-carbamoylazole derivatives EISAI R & D MANAGEMENT CO. LTD. (JP) 2004-09-23 US disclosed
US-20030060494-A1 Pharmaceutical use of N-carbamoylazole derivatives EISAI CO., LTD. (JP) 2003-03-27 US disclosed
EP-1258480-A1 Pharmaceutical use of N-Carbamoylazole derivatives Eisai Co., Ltd. (JP) 2002-11-20 EP 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 (2 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-20040186153-A1 Pharmaceutical use of N-carbamoylazole derivatives DPP4, DPP3, DPP7 ALDH1A1 1026/4885CACNA1G 1540/4885CACNA1H 1838/4885
US-20030060494-A1 Pharmaceutical use of N-carbamoylazole derivatives DPP4, DPP3, DPP7 ALDH1A1 1026/4885CACNA1G 1540/4885CACNA1H 1838/4885

“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.