SCHEMBL7055022

SCHEMBL7055022

CC(C)(C1CC1)[C@H](C#N)C(=O)NCCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CNR1 P21554 3/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
EPHX1 P07099 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
NLN Q9BYT8 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 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
SCHEMBL7054927 0.85 CNR1 (0.43) GAACNR1KMT2ALMNAPOLB
SCHEMBL7057635 0.78 EPHX1 (0.51) GAACNR1KMT2ALMNAPOLB
SCHEMBL8219616 0.71 KMT2A (0.65) GAACNR1KMT2ALMNAPOLB
SCHEMBL7740585 0.70 GAA (0.44) GAACNR1KMT2ALMNAPOLB
SCHEMBL1952759 0.70 LMNA (0.63) GAACNR1KMT2ALMNAPOLB
SCHEMBL3644597 0.69 METAP2 (0.50) CNR1KMT2AALDH1A1
SCHEMBL3644595 0.69 METAP2 (0.50) CNR1KMT2AALDH1A1
SCHEMBL7053291 0.69 KMT2A (0.47) GAACNR1KMT2ALMNAPOLB
SCHEMBL13801231 0.69 LMNA (0.62) GAACNR1KMT2ALMNAPOLB
SCHEMBL3349120 0.67 ALDH1A1 (0.67) CNR1KMT2ALMNAPOLBEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970044-B1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AG (DE) 2003-05-07 EP disclosed
US-6410486-B2 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-20020019422-A1 Cycloalkylalkanecarboxamides and their preparation and use WETTERICH FRANK (DE) 2002-02-14 US disclosed
US-6265447-B1 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-07-24 US disclosed
EP-0970044-A1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1998041499-A1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 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 (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-20020019422-A1 Cycloalkylalkanecarboxamides and their preparation and use CBR3, CYCS, CBR1 GAA 4157/4885CNR1 5/4885KMT2A 2102/4885

“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.