SCHEMBL3636690

SCHEMBL3636690

CCc1cccc(-c2ccccc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.49
CASR P41180 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
HTR7 P34969 4/20 0.47
FFAR1 O14842 4/20 0.46
BCL2 P10415 1/20 0.44
LIPG Q9Y5X9 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
IDO1 P14902 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL18015898 0.87 HTR7 (0.42) SCN8ACASRDRD2DRD4DRD3
SCHEMBL9223489 0.86 HTR7 (0.43) SCN8ACASRDRD2DRD4DRD3
SCHEMBL27804911 0.86 TAAR1 (0.43) SCN8ACASRDRD2DRD4DRD3
SCHEMBL12881753 0.86 HTR7 (0.53) SCN8ACASRDRD2DRD4DRD3
SCHEMBL8459741 0.82 TP53 (0.52) HTR7BCL2IDO1NPC1ALDH1A1
SCHEMBL3465994 0.82 FFAR1 (0.50) SCN8ACASRDRD2DRD4DRD3
SCHEMBL9764366 0.82 HTR7 (0.42) SCN8ACASRDRD2DRD4DRD3
SCHEMBL5990056 0.81 HTR7 (0.51) SCN8ACASRDRD2DRD4DRD3
SCHEMBL7500105 0.81 DRD2 (0.48) SCN8ACASRDRD2DRD4DRD3
SCHEMBL4151331 0.81 DRD2 (0.48) SCN8ACASRDRD2DRD4DRD3

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-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US claimed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP claimed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO claimed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US disclosed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 SCN8A 1553/4885CASR 1904/4885DRD2 3538/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 SCN8A 3167/4885CASR 3426/4885DRD2 4662/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 SCN8A 3078/4885CASR 1594/4885DRD2 3353/4885

“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.