SCHEMBL3301608

SCHEMBL3301608

CNC(=O)Oc1ccc2c(c1)CCC2NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.54
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM1A O60341 1/20 0.42
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL3301612 0.91 ACHE (0.52) ACHE
SCHEMBL3301607 0.91 ACHE (0.52) ACHE
SCHEMBL3298372 0.84 KDM1A (0.43) ACHECA12CA1CA2CA7
SCHEMBL31303024 0.82 TRPV1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL8185532 0.82 TRPV1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL24817021 0.82 TRPV1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL31303000 0.82 TRPV1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL31302986 0.82 TRPV1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL3304298 0.82 CA1 (0.44) ACHECA12CA1CA2CA7
SCHEMBL3299002 0.81 ACHE (0.47) ACHE

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 ACHE 76/4885CA12 4790/4885CA1 3692/4885
US-20100093848-A1 PROPARGYLATED AMINOINDANS, PROCESSES FOR PREPARATION, AND USES THEREOF DNPEP, PEPD, ACHE ACHE 3/4885CA12 4142/4885CA1 2938/4885

“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.