SCHEMBL3672661

SCHEMBL3672661

CC(C)(C)C(=O)N1CCN(c2cc[c]c(C(N)=O)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 3/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMO Q99835 1/20 0.38
MAP4K4 O95819 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IDE P14735 1/20 0.37
ADORA2A P29274 1/20 0.37
SYK P43405 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3668358 0.85 MAP4K4 (0.47) CKS1BSKP1SKP2MAPTTP53
SCHEMBL2744970 0.82 PARP1 (0.49) ALDH1A1MAP4K4
SCHEMBL3629275 0.82 CKS1B (0.47) CKS1BSKP1SKP2NPC1RAB9A
SCHEMBL3638386 0.82 MAP4K4 (0.50) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4965500 0.81 PARP1 (0.46) NPC1MAPTALDH1A1MAP4K4MEN1
SCHEMBL3204010 0.80 HRH4 (0.43) CKS1BSKP1SKP2TP53SMO
SCHEMBL3665112 0.80 CKS1B (0.47) CKS1BSKP1SKP2NPC1RAB9A
SCHEMBL2744801 0.79 PARP1 (0.47) NPC1MAPTALDH1A1MAP4K4MEN1
SCHEMBL2829654 0.79 HRH3 (0.47)
SCHEMBL2825602 0.79 HRH3 (0.45) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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.