SCHEMBL4144334

SCHEMBL4144334

CC(C)CCCN1CCC(N)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.56
GNAO1 P09471 2/20 0.56
GNAI1 P63096 2/20 0.56
SPHK1 Q9NYA1 1/20 0.41
GBA1 P04062 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
HRH2 P25021 3/20 0.37
HRH1 P35367 3/20 0.37
HRH3 Q9Y5N1 2/20 0.37
OPRL1 P41146 1/20 0.36
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
LSS P48449 1/20 0.34

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
SCHEMBL20648687 0.94 GNAI3 (0.59) GNAI3GNAO1GNAI1SPHK1GBA1
SCHEMBL25036354 0.92 GNAO1 (0.62) GNAI3GNAO1GNAI1SPHK1GBA1
SCHEMBL24913115 0.90 GNAI3 (0.46) GNAI3GNAO1GNAI1SPHK1GBA1
SCHEMBL856657 0.88 GNAI3 (0.50) GNAI3GNAO1GNAI1SPHK1SIGMAR1
Hydrochloric Acid SCHEMBL856924 0.86 GNAI3 (0.53) GNAI3GNAO1GNAI1SPHK1SIGMAR1
SCHEMBL16625961 0.86 GBA1 (0.42) GNAI3GNAO1GNAI1GBA1SIGMAR1
Hydrochloric Acid SCHEMBL6589106 0.82 GNAO1 (0.59) GNAI3GNAO1GNAI1SPHK1SIGMAR1
SCHEMBL20648690 0.82 GNAI3 (0.46) GNAI3GNAO1GNAI1SPHK1SIGMAR1
Hydrochloric Acid SCHEMBL8699673 0.82 GNAO1 (0.59) GNAI3GNAO1GNAI1SPHK1SIGMAR1
SCHEMBL8085875 0.82 SIGMAR1 (0.57) GBA1SIGMAR1HRH3

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.