SCHEMBL13874672

SCHEMBL13874672

CNC[C@@H]1CCN(C2CCCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
HRH3 Q9Y5N1 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
OPRL1 P41146 6/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 4/20 0.32

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
SCHEMBL13874675 1.00 DPP4 (0.38) DPP4HRH3L3MBTL1SIGMAR1OPRL1
SCHEMBL13874570 0.88 HRH3 (0.38) HRH3L3MBTL1SIGMAR1OPRL1MEN1
SCHEMBL17753935 0.84 L3MBTL1 (0.38) HRH3L3MBTL1SIGMAR1OPRL1OPRM1
SCHEMBL23943527 0.81 USP1 (0.32) L3MBTL1
SCHEMBL3425370 0.79 L3MBTL1 (0.40) HRH3L3MBTL1
SCHEMBL11000044 0.78 DPP4 (0.45) DPP4HRH3OPRL1OPRM1
SCHEMBL1179599 0.77 ALDH1A1 (0.35) L3MBTL1SIGMAR1
SCHEMBL25743375 0.77 DPP4 (0.33) DPP4HRH3MEN1KMT2A
SCHEMBL25743372 0.77 DPP4 (0.33) DPP4HRH3MEN1KMT2A
SCHEMBL27291062 0.76 DPP4 (0.47) DPP4HRH3SIGMAR1OPRL1OPRM1

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-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE GRAUERT MATTHIAS 2009-04-09 US disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US 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-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 DPP4 376/4885HRH3 387/4885L3MBTL1 3059/4885
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 DPP4 376/4885HRH3 387/4885L3MBTL1 3059/4885

“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.