SCHEMBL4151538

SCHEMBL4151538

CN(CC1CC1)C1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.45
BTK Q06187 1/20 0.43
EPHX1 P07099 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
DRD3 P35462 2/20 0.41
CTSK P43235 2/20 0.41
GAA P10253 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL13874220 1.00 DRD2 (0.45) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL25024396 0.91 BTK (0.39) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL30135717 0.91 BTK (0.39) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL22191787 0.91 BTK (0.41) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL22200637 0.91 BTK (0.41) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL28629653 0.87 DRD2 (0.46) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL28629656 0.87 DRD2 (0.46) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL15190919 0.87 DRD2 (0.47) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL12258943 0.87 DRD2 (0.47) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL22200809 0.85 BTK (0.46) DRD2BTKEPHX1KDM1AMAOB

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 DRD2 1079/4885BTK 3297/4885EPHX1 2775/4885
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 DRD2 1079/4885BTK 3297/4885EPHX1 2775/4885

“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.