SCHEMBL3298372

SCHEMBL3298372

CC(C)(C)OC(=O)NC1CCc2cc(OC(=O)OCCl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
CA12 O43570 3/20 0.42
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
BDKRB1 P46663 1/20 0.39
ACHE P22303 6/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TRPV1 Q8NER1 3/20 0.36
CD274 Q9NZQ7 1/20 0.36
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3298369 0.92 ACHE (0.47) KDM1AACHE
SCHEMBL3301608 0.84 ACHE (0.54) KDM1ACA12CA7CA14CA1
SCHEMBL3300150 0.82 ACHE (0.41) ACHECD274
SCHEMBL31302986 0.77 TRPV1 (0.47) CA12CA7CA14CA1CA2
SCHEMBL31303024 0.77 TRPV1 (0.47) CA12CA7CA14CA1CA2
SCHEMBL24817021 0.77 TRPV1 (0.47) CA12CA7CA14CA1CA2
SCHEMBL3304298 0.77 CA1 (0.44) CA12CA7CA14CA1CA2
SCHEMBL31303000 0.77 TRPV1 (0.47) CA12CA7CA14CA1CA2
SCHEMBL8185532 0.77 TRPV1 (0.47) CA12CA7CA14CA1CA2
SCHEMBL8180722 0.76 TRPV1 (0.46) CA12CA7CA14CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609719-B2 Propargylated aminoindans, processes for preparation, and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2013-12-17 US disclosed
US-20100093848-A1 PROPARGYLATED AMINOINDANS, PROCESSES FOR PREPARATION, AND USES THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-04-15 US disclosed
US-7625946-B2 Propargylated aminoindans, processes for preparation, and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2009-12-01 US disclosed
WO-2007100583-A2 PROPARGYLATED AMINOINDANS, PROCESSES FOR PREPARATION, AND USES THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2007-09-07 WO disclosed
US-20070203232-A1 Propargylated aminoindans, processes for preparation, and uses thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2007-08-30 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-20070203232-A1 Propargylated aminoindans, processes for preparation, and uses thereof PRMT3, PRMT1, PNMT KDM1A 174/4885CA12 4790/4885CA7 4866/4885
US-20100093848-A1 PROPARGYLATED AMINOINDANS, PROCESSES FOR PREPARATION, AND USES THEREOF DNPEP, PEPD, ACHE KDM1A 1329/4885CA12 4142/4885CA7 3972/4885

“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.