SCHEMBL12487515

SCHEMBL12487515

CC(C)(C)C(=O)NNC(=O)C1CCC(NC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 2/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 2/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL12487514 1.00 HTT (0.40) HTTMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL15805658 0.81 BTK (0.48) GAAEPHX1
SCHEMBL21774787 0.81 MAPT (0.43) HTTMAPTPOLBALDH1A1HPGD
SCHEMBL23573489 0.80 ALDH1A1 (0.53) POLBALDH1A1GAAEPHX1LMNA
SCHEMBL1908638 0.79 POLB (0.42) HTTMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL3209818 0.77 LMNA (0.40) HTTPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL482252 0.77 LMNA (0.40) HTTPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL31503626 0.76 BTK (0.37) HTTPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL31503294 0.76 BTK (0.37) HTTPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3196032 0.76 POLB (0.59) POLBALDH1A1HSD17B10GAALMNA

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-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-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY HTT 2987/4885MAPT 1271/4885POLB 1792/4885

“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.