SCHEMBL6163414

SCHEMBL6163414

CCOC(=O)CNCc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
PPID Q08752 4/20 0.48
PPIB P23284 1/20 0.48
PPIA P62937 1/20 0.48
PPIG Q13427 1/20 0.48
LTA4H P09960 4/20 0.46
SCN8A Q9UQD0 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
EPHX2 P34913 1/20 0.44
CYP2A6 P11509 1/20 0.43
RAB9A P51151 1/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1B Q00975 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CYP19A1 P11511 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
SCHEMBL5346390 0.86 LOXL2 (0.53) LOXL2SCN8AEPHX2CYP2A6RAB9A
SCHEMBL8138307 0.85 PPID (0.69) LOXL2PPIDPPIBPPIAPPIG
SCHEMBL2489141 0.83 SCN8A (0.51) PPIDLTA4HSCN8ASMN1; SMN2
SCHEMBL8252663 0.83 SMN1; SMN2 (0.54) PPIDPPIBPPIAPPIGLTA4H
SCHEMBL11187635 0.83 PPID (0.54) PPIDPPIBPPIAPPIGLTA4H
Benzonitrile SCHEMBL9811793 0.82 SMN1; SMN2 (0.53) PPIDLTA4HSMN1; SMN2MAPTTDP1
SCHEMBL410744 0.81 EPHX2 (0.49) LOXL2SCN8AEPHX2CYP2A6RAB9A
SCHEMBL13274881 0.80 PPID (0.51) PPIDPPIBPPIAPPIGLTA4H
SCHEMBL3176370 0.80 LMNA (0.51) PPIDPPIBPPIAPPIGLTA4H
SCHEMBL14477029 0.80 PPID (0.51) PPIDPPIBPPIAPPIGLTA4H

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-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 US disclosed
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP disclosed
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed
EP-1210335-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-06-05 EP disclosed
WO-2001014342-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 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 (2 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-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT LOXL2 3767/4885PPID 1807/4885PPIB 1985/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT LOXL2 3767/4885PPID 1807/4885PPIB 1985/4885

“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.