SCHEMBL5374063

SCHEMBL5374063

CN(C)C(=O)n1cnc(SC2CCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
HPGD P15428 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 3/20 0.32
CA6 P23280 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
CA13 Q8N1Q1 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA5B Q9Y2D0 3/20 0.32
CA3 P07451 2/20 0.32
RHEB Q15382 1/20 0.31
FAAH O00519 1/20 0.31
CES2 O00748 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL11376332 0.76 ACHE (0.36) DPP4MEN1KMT2AMGLL
SCHEMBL5374193 0.76 DPP4 (0.49) DPP4HPGDKMT2AALDH1A1MAPT
SCHEMBL5374190 0.76 DPP4 (0.49) DPP4HPGDKMT2AALDH1A1MAPT
SCHEMBL5380528 0.73 USP1 (0.34) MEN1KMT2ASMN1; SMN2
SCHEMBL5384535 0.71 DPP4 (0.50) DPP4FAAHCES2MEN1KMT2A
SCHEMBL5381535 0.68 ALDH1A1 (0.36) DPP4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5381803 0.68 RORC (0.38) ALDH1A1TRPV1MGLLMAPT
SCHEMBL5382766 0.68 DPP4 (0.44) DPP4MEN1KMT2AALDH1A1
SCHEMBL18179632 0.67 ALDH1A1 (0.34) DPP4KMT2AALDH1A1TRPV1MGLL
SCHEMBL5376960 0.66 DAGLA (0.36) TRPV1MGLL

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 7 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
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 DPP4 1/4885HPGD 1716/4885CA12 1299/4885
US-20030060494-A1 Pharmaceutical use of N-carbamoylazole derivatives DPP4, DPP3, DPP7 DPP4 1/4885HPGD 1716/4885CA12 1299/4885

“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.