SCHEMBL3122017

SCHEMBL3122017

CCCOc1ccc(/C=C/C(=O)N2CCCCCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.77
RAB9A P51151 4/20 0.77
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
GAA P10253 2/20 0.65
ALDH1A1 P00352 7/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 3/20 0.58
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL3115263 1.00 NPC1 (0.77) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL3122021 1.00 NPC1 (0.77) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL3115258 1.00 NPC1 (0.77) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL19564562 0.91 NPC1 (0.65) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL22282966 0.89 NPC1 (0.62) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL14441230 0.82 RAB9A (0.91) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL20855413 0.82 NPC1 (0.67) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL3123638 0.82 GPR183 (0.72) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL3123635 0.82 GPR183 (0.72) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL4094287 0.82 HRH3 (0.69) HRH3

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
US-20100179130-A1 USE OF PIPERINE AND DERIVATIVES THEREOF FOR THE THERAPY OF NEUROLOGICAL CONDITIONS SYNGIS Bioscience GmbH & Co. KG (DE) 2010-07-15 US claimed
EP-2170320-A1 USE OF PIPERINE AND DERIVATIVES THEREOF FOR THE THERAPY OF NEUROLOGICAL CONDITIONS Sygnis Bioscience GmbH & Co. KG (DE) 2010-04-07 EP claimed
WO-2009004071-A1 USE OF PIPERINE AND DERIVATIVES THEREOF FOR THE THERAPY OF NEUROLOGICAL CONDITIONS SYGNIS BIOSCIENCE GMBH & CO. KG (DE) 2009-01-08 WO claimed
US-20100179130-A1 USE OF PIPERINE AND DERIVATIVES THEREOF FOR THE THERAPY OF NEUROLOGICAL CONDITIONS SYNGIS Bioscience GmbH & Co. KG (DE) 2010-07-15 US disclosed
EP-2170320-A1 USE OF PIPERINE AND DERIVATIVES THEREOF FOR THE THERAPY OF NEUROLOGICAL CONDITIONS Sygnis Bioscience GmbH & Co. KG (DE) 2010-04-07 EP disclosed
WO-2009004071-A1 USE OF PIPERINE AND DERIVATIVES THEREOF FOR THE THERAPY OF NEUROLOGICAL CONDITIONS SYGNIS BIOSCIENCE GMBH & CO. KG (DE) 2009-01-08 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-20100179130-A1 USE OF PIPERINE AND DERIVATIVES THEREOF FOR THE THERAPY OF NEUROLOGICAL CONDITIONS PRPH, BDNF, GAP43 NPC1 725/4885RAB9A 803/4885KMT2A 1722/4885

“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.