SCHEMBL193593

SCHEMBL193593

CN(C(=O)O)[C@H]1CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 1/20 0.57
XBP1 P17861 1/20 0.57
HTT P42858 1/20 0.57
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.48
SIGMAR1 Q99720 3/20 0.46
SPR P35270 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDPK1 O15530 1/20 0.42
PIN1 Q13526 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
SCHEMBL193594 1.00 RAB9A (0.58) RAB9AALDH1A1XBP1HTTMAOA
SCHEMBL5969786 0.87 ALDH1A1 (0.57) RAB9AALDH1A1XBP1HTTMAOA
SCHEMBL5969847 0.87 ALDH1A1 (0.57) RAB9AALDH1A1XBP1HTTMAOA
SCHEMBL18701555 0.83 ALDH1A1 (0.53) RAB9AALDH1A1XBP1HTTMAOA
SCHEMBL1665427 0.81 TRPM8 (0.49) RAB9AALDH1A1XBP1HTTMAOA
SCHEMBL2805550 0.81 RAB9A (0.49) RAB9AALDH1A1XBP1HTTMAOA
SCHEMBL28224648 0.80 TRPM8 (0.51) RAB9AALDH1A1XBP1HTTMAOA
SCHEMBL28300301 0.80 TRPM8 (0.51) RAB9AALDH1A1XBP1HTTMAOA
SCHEMBL3418518 0.80 TRPM8 (0.54) RAB9AALDH1A1XBP1HTTMAOA
SCHEMBL3418519 0.80 TRPM8 (0.54) RAB9AALDH1A1XBP1HTTMAOA

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-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP 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 (6 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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RAB9A 2706/4885ALDH1A1 987/4885XBP1 700/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RAB9A 2706/4885ALDH1A1 987/4885XBP1 700/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RAB9A 2706/4885ALDH1A1 987/4885XBP1 700/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 RAB9A 2706/4885ALDH1A1 987/4885XBP1 700/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RAB9A 2706/4885ALDH1A1 987/4885XBP1 700/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 RAB9A 2935/4885ALDH1A1 924/4885XBP1 1102/4885

“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.