SCHEMBL5025145

SCHEMBL5025145

CC(Cn1c2c(c3ccccc31)CCC2)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BACE1 P56817 3/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC10 Q969S8 1/20 0.47
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
BCHE P06276 2/20 0.45
LMNA P02545 1/20 0.42

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
SCHEMBL5025143 1.00 ALDH1A1 (0.51) ALDH1A1MAPK1KDM4EMEN1GLA
SCHEMBL6627340 1.00 ALDH1A1 (0.51) ALDH1A1MAPK1KDM4EMEN1GLA
SCHEMBL6627480 0.84 HDAC1 (0.43) ALDH1A1MAPK1KDM4EHDAC6HDAC1
SCHEMBL6627479 0.84 HDAC1 (0.43) ALDH1A1MAPK1KDM4EHDAC6HDAC1
SCHEMBL6630117 0.80 PPARA (0.43)
SCHEMBL6630114 0.80 PPARA (0.43)
SCHEMBL6627511 0.80 TRPA1 (0.36) ALDH1A1KDM4EMEN1GLACASP1
SCHEMBL6627517 0.80 TRPA1 (0.36) ALDH1A1KDM4EMEN1GLACASP1
SCHEMBL6628064 0.79 HSD17B10 (0.36) ALDH1A1KDM4EMEN1GLACASP1
SCHEMBL6628067 0.79 HSD17B10 (0.36) ALDH1A1KDM4EMEN1GLACASP1

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
EP-1328515-B1 INDOLINE DERIVATIVES AND THEIR USE AS 5-HT2 RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US disclosed
US-20020183349-A1 INDOLINE DERIVATIVES AND METHOD OF TREATING OBESITY HOFFMANN-LA ROCHE INC. 2002-12-05 US disclosed
US-6479534-B1 Indoline derivatives and method of treating obesity VERNALIS RESEARCH LIMITED (GB) 2002-11-12 US disclosed
EP-1202965-A1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012603-A1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2001-02-22 WO 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-20020183349-A1 INDOLINE DERIVATIVES AND METHOD OF TREATING OBESITY INMT, TPH1, TPH2 ALDH1A1 1650/4885MAPK1 2998/4885KDM4E 2050/4885

“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.