SCHEMBL7054927

SCHEMBL7054927

CC(C)(C(C#N)C(=O)NCCc1ccc(Cl)cc1)[C@H]1CC1(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
NLN Q9BYT8 1/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL7055022 0.85 GAA (0.47) CNR1POLBLMNAKMT2AGAA
SCHEMBL7057635 0.73 EPHX1 (0.51) CNR1POLBLMNAKMT2AGAA
SCHEMBL7053291 0.71 KMT2A (0.47) CNR1POLBLMNAKMT2AGAA
SCHEMBL7740585 0.70 GAA (0.44) CNR1POLBLMNAKMT2AGAA
SCHEMBL8219616 0.68 KMT2A (0.65) CNR1POLBLMNAKMT2AGAA
SCHEMBL7055023 0.68
SCHEMBL1952759 0.67 LMNA (0.63) CNR1POLBLMNAKMT2AGAA
SCHEMBL3644595 0.67 METAP2 (0.50) CNR1KMT2AALDH1A1
SCHEMBL3644597 0.67 METAP2 (0.50) CNR1KMT2AALDH1A1
SCHEMBL13801231 0.66 LMNA (0.62) CNR1POLBLMNAKMT2AGAA

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 CNR1 5/4885POLB 685/4885LMNA 1204/4885

“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.