SCHEMBL7550123

SCHEMBL7550123

CCOC(=O)C(C#N)C(C)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
CTSK P43235 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
METAP2 P50579 1/20 0.32

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
SCHEMBL6343512 0.83 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1NPSR1GAA
SCHEMBL10535054 0.79 SMN1; SMN2 (0.45) L3MBTL1SMN1; SMN2ALDH1A1NPSR1GAA
SCHEMBL411806 0.77 SMN1; SMN2 (0.42) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL546205 0.77 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1NPSR1GAA
SCHEMBL6925024 0.76 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL13858310 0.76 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL7056761 0.76 ALOX5 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL6925032 0.76 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL6925027 0.76 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL23130401 0.74 SMN1; SMN2 (0.40) L3MBTL1SMN1; SMN2ALDH1A1NPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 2632/4885SMN1; SMN2 4443/4885ALDH1A1 433/4885

“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.