SCHEMBL12696756

SCHEMBL12696756

Cc1cc(OC2CCNCC2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.55
IKBKB O14920 2/20 0.51
HRH1 P35367 2/20 0.50
PRKCZ Q05513 2/20 0.43
ROCK2 O75116 1/20 0.43
PRKACA P17612 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKG1 Q13976 1/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
Q6ZSR9 Q6ZSR9 1/20 0.43
BMP2K Q9NSY1 1/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43
CHUK O15111 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CSF1R P07333 1/20 0.41

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
SCHEMBL21603259 0.91 PRKCZ (0.55) ROCK1PRKCZROCK2PRKACAPRKG1
SCHEMBL12093734 0.85 GRM5 (0.45) ROCK1ROCK2DYRK1AKCNH2
SCHEMBL12247661 0.85 GRM5 (0.45) DYRK1A
SCHEMBL13791457 0.83 GRM5 (0.46)
SCHEMBL31656568 0.83 SLC6A2 (0.49) ROCK1PRKCZROCK2DYRK1AKCNH2
SCHEMBL23839561 0.82 LNPEP (0.45)
SCHEMBL20281696 0.82 ROCK1 (0.58) ROCK1IKBKBPRKCZROCK2PRKCD
SCHEMBL20779755 0.81 ROCK1 (0.52) ROCK1IKBKBHRH1PRKCZROCK2
SCHEMBL21999270 0.81 ROCK1 (0.62) ROCK1IKBKBHRH1PRKCZROCK2
SCHEMBL12510759 0.81 GRM5 (0.48) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 US disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-8987276-B2 Substituted triazolyl piperazine and triazolyl piperidine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-03-24 US disclosed
US-8987276-B2 Substituted triazolyl piperazine and triazolyl piperidine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-03-24 US disclosed
US-20140011816-A1 NOVEL SUBSTITUTED TRIAZOLYL PIPERAZINE AND TRIAZOLYL PIPERIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-09 US disclosed
US-20140011816-A1 NOVEL SUBSTITUTED TRIAZOLYL PIPERAZINE AND TRIAZOLYL PIPERIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-09 US disclosed
WO-2012126984-A1 NOVEL SUBSTITUTED TRIAZOLYL PIPERAZINE AND TRIAZOLYL PIPERIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. (US) 2012-09-27 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 (3 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-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ROCK1 4324/4885IKBKB 2508/4885HRH1 3096/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C ROCK1 2870/4885IKBKB 2638/4885HRH1 455/4885
US-20140011816-A1 NOVEL SUBSTITUTED TRIAZOLYL PIPERAZINE AND TRIAZOLYL PIPERIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ROCK1 2577/4885IKBKB 741/4885HRH1 296/4885

“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.