SCHEMBL5526402

SCHEMBL5526402

CSCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
EPHX1 P07099 1/20 0.48
CETP P11597 4/20 0.48
DAO P14920 1/20 0.46
CARM1 Q86X55 2/20 0.43
PRMT6 Q96LA8 2/20 0.43
GRIN2B Q13224 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAOB P27338 1/20 0.42
CHRM5 P08912 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
SCHEMBL5526398 0.83 EPHX1 (0.48) CHRM2CHRM1CHRM3EPHX1CETP
SCHEMBL178310 0.82 CHRM2 (0.55) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL24180154 0.80 HCRTR1 (0.42) CETPGRIN2BMAOB
SCHEMBL5009648 0.80 DAO (0.55) CHRM2CHRM1CHRM3CETPDAO
Hydrochloric Acid SCHEMBL21272596 0.79 CHRM2 (0.52) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL514636 0.78 BCHE (0.53) EPHX1DAOGRIN2B
SCHEMBL19062249 0.78 CETP (0.53) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL1145638 0.78 CYP1A2 (0.58) CHRM2CHRM1CHRM3MAOB
SCHEMBL2600038 0.77 CHRM2 (0.51) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL2090888 0.77 CHRM2 (0.58) CHRM2CHRM1CHRM3CETPDAO

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US claimed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP claimed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US claimed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP claimed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US claimed
JP-2002539191-A 2002-11-19 JP claimed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 US claimed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP claimed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
US-10220035-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-03-05 US disclosed
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US disclosed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 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 (7 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CHRM2 4558/4885CHRM1 4272/4885CHRM3 3393/4885
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C CHRM2 618/4885CHRM1 694/4885CHRM3 1476/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A CHRM2 678/4885CHRM1 1071/4885CHRM3 1473/4885
US-10220035-B2 Compounds as modulators of protein kinases PRKCA, PRKCH, PRKCE CHRM2 4015/4885CHRM1 4136/4885CHRM3 3570/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CHRM2 4558/4885CHRM1 4272/4885CHRM3 3393/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CHRM2 4558/4885CHRM1 4272/4885CHRM3 3393/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 CHRM2 46/4885CHRM1 29/4885CHRM3 86/4885

“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.