SCHEMBL3665112

SCHEMBL3665112

NC(=O)c1[c]ccc(N2CCN(C(=O)C3CC3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
MAP4K4 O95819 1/20 0.43
MAPT P10636 8/20 0.43
TP53 P04637 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
SYK P43405 1/20 0.41
GBA1 P04062 1/20 0.40

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
SCHEMBL3216446 0.95 HCRTR1 (0.46) CKS1BSKP1SKP2TDP1MAP4K4
SCHEMBL2783568 0.94 GBA1 (0.48) CKS1BSKP1SKP2MAP4K4MAPT
SCHEMBL3205309 0.91 HCRTR1 (0.52) CKS1BSKP1SKP2MAP4K4MAPT
SCHEMBL3634174 0.90 CKS1B (0.38) CKS1BSKP1SKP2TDP1MAP4K4
SCHEMBL3810632 0.89 CKS1B (0.37) CKS1BSKP1SKP2TDP1MAP4K4
SCHEMBL3668358 0.83 MAP4K4 (0.47) CKS1BSKP1SKP2MAP4K4MAPT
SCHEMBL3629275 0.82 CKS1B (0.47) CKS1BSKP1SKP2MAPTSMN1; SMN2
SCHEMBL4965500 0.81 PARP1 (0.46) TDP1MAP4K4MAPTNPC1KDM4E
SCHEMBL3637372 0.80 SYK (0.41) TDP1MAP4K4SYK
SCHEMBL2744970 0.80 PARP1 (0.49) MAP4K4KDM4EHSD17B10ALDH1A1HRH3

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-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CKS1B 2482/4885SKP1 3859/4885SKP2 3711/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CKS1B 2482/4885SKP1 3859/4885SKP2 3711/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CKS1B 2482/4885SKP1 3859/4885SKP2 3711/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CKS1B 2482/4885SKP1 3859/4885SKP2 3711/4885

“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.