SCHEMBL1908638

SCHEMBL1908638

CC(C)(C)C(=O)NNC(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.35
GAA P10253 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL12487515 0.79 HTT (0.40) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL12487514 0.79 HTT (0.40) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL31503294 0.78 BTK (0.37) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL31503626 0.78 BTK (0.37) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL15026749 0.77 GAA (0.45) POLBHTTSMN1; SMN2HSD17B10GAA
SCHEMBL31503367 0.75 SMN1; SMN2 (0.37) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL517228 0.75 POLB (0.35) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL517229 0.75 POLB (0.35) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL15805658 0.74 BTK (0.48) GAAKMT2A
SCHEMBL13450100 0.74 POLB (0.43) POLBHTTSMN1; SMN2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY POLB 1792/4885HTT 2987/4885SMN1; SMN2 4695/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY POLB 1792/4885HTT 2987/4885SMN1; SMN2 4695/4885

“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.