SCHEMBL4463790

SCHEMBL4463790

CN1CCC(NC(=O)OC(C)(C)C)(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.33
CACNA1H O95180 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 2/20 0.31
GHSR Q92847 1/20 0.31
USP2 O75604 1/20 0.31
EPHX2 P34913 1/20 0.31
BTK Q06187 1/20 0.31
PPIA P62937 1/20 0.30
CTSL P07711 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL28049727 0.91 DRD2 (0.34) DRD2CACNA1HMEN1MAPK1KMT2A
SCHEMBL28189059 0.84 CYP4F2 (0.33) DRD2MEN1MAPK1KMT2ACTSK
SCHEMBL21777669 0.82 EPHX2 (0.40) USP2EPHX2
SCHEMBL142219 0.80 MEN1 (0.39) MEN1MAPK1KMT2ACTSKGHSR
SCHEMBL1003478 0.80 EPHX2 (0.34) DRD2MEN1MAPK1KMT2ACTSK
SCHEMBL391708 0.79 USP2 (0.45) MEN1KMT2AUSP2EPHX2
SCHEMBL8647697 0.78 DRD2 (0.40) DRD2CACNA1HMEN1MAPK1KMT2A
SCHEMBL4522936 0.77 HPGD (0.39) MEN1KMT2AUSP2EPHX2
SCHEMBL76966 0.77 BTK (0.38) MEN1MAPK1KMT2AGHSRBTK
SCHEMBL202837 0.77 BTK (0.38) MEN1MAPK1KMT2AGHSRBTK

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-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 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 (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-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC DRD2 1782/4885CACNA1H 2187/4885MEN1 2017/4885

“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.