SCHEMBL2500543

SCHEMBL2500543

CC(C)(C)OC(=O)[C@@H]1CC(F)CN1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.39
SMYD3 Q9H7B4 1/20 0.34
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL11448952 1.00 CTSC (0.39) CTSCSMYD3MAPK1L3MBTL1CHRM2
SCHEMBL29308167 1.00 CTSC (0.39) CTSCSMYD3MAPK1L3MBTL1CHRM2
SCHEMBL28476405 0.87 CTSC (0.35) CTSCSMYD3
SCHEMBL19900673 0.85 CTSC (0.35) CTSCSMYD3
SCHEMBL11448877 0.84 HRH3 (0.31) MAPK1L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL12531141 0.80 MAPK1 (0.36) CTSCMAPK1L3MBTL1CHRM2CHRM1
SCHEMBL31301933 0.80 CYP1A2 (0.42) MAPK1L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL19901590 0.80 CYP1A2 (0.42) MAPK1L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL21673908 0.80 DPP4 (0.41) SMYD3MAPK1L3MBTL1CHRM2CHRM1
SCHEMBL695946 0.80 DPP4 (0.41) SMYD3MAPK1L3MBTL1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-7528124-B2 1,3-dihydro-2H-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-05-05 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1659121-A1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-05-24 EP disclosed
US-4221912-A Dithio derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-09-09 US disclosed
US-4217458-A Acylmercaptoacyl derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-08-12 US disclosed
US-4198515-A Mercaptoacyl derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-04-15 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 (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-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative AVPR1B, AVPR2, AVPR1A CTSC 1896/4885SMYD3 2610/4885MAPK1 840/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 CTSC 1030/4885SMYD3 4368/4885MAPK1 1763/4885

“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.