SCHEMBL4150889

SCHEMBL4150889

CC(C)CCC(=O)N1CCC(N)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.57
GNAO1 P09471 2/20 0.57
GNAI1 P63096 2/20 0.57
CACNA1B Q00975 2/20 0.55
NPC1 O15118 1/20 0.46
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL12578181 0.91 GNAI3 (0.47) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL12015005 0.84 NPC1 (0.47) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL12197910 0.84 NPC1 (0.67) NPC1ALDH1A1
SCHEMBL22874723 0.82 NPC1 (0.46) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL12413725 0.81 POLB (0.51) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL1562717 0.79 GNAI3 (0.72) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL12018620 0.79 NPC1 (0.43) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL3315105 0.79 NPC1 (0.43) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL31370057 0.79 CACNA1B (0.56) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL12197900 0.79 ATM (0.58) NPC1CNR1CNR2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080665-B2 Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-12-20 US disclosed
US-20090124660-A1 Piperidine Compounds Useful as Malonyl-CoA Decarboxylase Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-05-14 US disclosed
US-7449482-B2 Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-11-11 US disclosed
EP-1653957-B1 PIPERIDINE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-07-09 EP disclosed
EP-1653957-A1 PIPERIDINE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-05-10 EP disclosed
WO-2005011693-A1 PIPERIDINE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO disclosed
US-20050032828-A1 Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 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-20050032828-A1 Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors ACACA, ACACB, PC GNAI3 3259/4885GNAO1 3542/4885GNAI1 2728/4885
US-20090124660-A1 Piperidine Compounds Useful as Malonyl-CoA Decarboxylase Inhibitors ACACA, ACACB, PC GNAI3 3259/4885GNAO1 3542/4885GNAI1 2728/4885

“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.