SCHEMBL6021097

SCHEMBL6021097

CN(C#N)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.61
CTSL P07711 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.54
CCKBR P32239 2/20 0.50
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
CCKAR P32238 1/20 0.49
ERAP2 Q6P179 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL6021019 0.90 TACR1 (0.59) TACR1CTSLMRGPRX4CCKBRITGB2
SCHEMBL6471774 0.89 TACR1 (0.58) TACR1CTSLMRGPRX4CCKBRITGB2
SCHEMBL5526318 0.87 CTSL (0.71) TACR1CTSLCCKBRITGB2ICAM1
SCHEMBL6020256 0.87 CTSL (0.71) TACR1CTSLCCKBRITGB2ICAM1
SCHEMBL6021085 0.85 CTSL (0.78) TACR1CTSLMRGPRX4ITGB2ICAM1
SCHEMBL6023423 0.85 TACR1 (0.57) TACR1CTSLMRGPRX4CCKBRCCKAR
SCHEMBL6021037 0.84 TACR1 (0.61) TACR1CTSLMRGPRX4ITGB2ICAM1
SCHEMBL11949520 0.84 TACR1 (0.72) TACR1MRGPRX4ITGB2ICAM1ITGAL
SCHEMBL6020602 0.83 TACR1 (0.49) TACR1CTSLMRGPRX4ALDH1A1LMNA
SCHEMBL6020568 0.82 CTSL (0.61) CTSLALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
WO-2005123667-A1 SUBSTITUTED BICYCLOOCTENES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-12-29 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 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 (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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 TACR1 3501/4885CTSL 2274/4885MRGPRX4 1090/4885

“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.