SCHEMBL889100

SCHEMBL889100

CC(C)(C)OC(=O)N1CCC(Nc2ccc(Br)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
NPC1 O15118 1/20 0.63
MAPT P10636 1/20 0.63
MAPK1 P28482 1/20 0.63
HTT P42858 1/20 0.63
RAB9A P51151 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
FPR2 P25090 10/20 0.63
FPR3 P25089 6/20 0.63
USP30 Q70CQ3 3/20 0.56
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
PIK3CD O00329 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL28550626 1.00 ALDH1A1 (0.65) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL23292311 1.00 ALDH1A1 (0.65) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL888994 0.93 FPR2 (0.64) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL24596918 0.93 FPR2 (0.64) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL24596980 0.93 FPR2 (0.64) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2873727 0.92 ALDH1A1 (0.75) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31465559 0.90 FPR2 (0.60) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL595014 0.89 ALDH1A1 (0.68) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20194477 0.89 ALDH1A1 (0.66) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3514725 0.89 ALDH1A1 (0.68) ALDH1A1NPC1MAPTMAPK1HTT

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
EP-3277677-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2018-02-07 EP disclosed
WO-2016156816-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2016-10-06 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 ALDH1A1 354/4885NPC1 34/4885MAPT 4286/4885

“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.