SCHEMBL4132334

SCHEMBL4132334

C1=C(c2ccncc2)c2ccccc2CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.56
CYP3A4 P08684 6/20 0.56
CYP17A1 P05093 3/20 0.55
CYP11B1 P15538 5/20 0.51
CYP19A1 P11511 8/20 0.44
NPY5R Q15761 1/20 0.42
MIF P14174 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
NOTUM Q6P988 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL29987608 0.85 CES1 (0.40) CYP11B2CYP3A4CYP17A1CYP11B1CYP19A1
SCHEMBL459641 0.85 CES1 (0.40) CYP11B2CYP3A4CYP17A1CYP11B1CYP19A1
SCHEMBL10001805 0.84 CYP11B2 (0.43) CYP11B2CYP3A4CYP17A1CYP11B1CYP19A1
SCHEMBL26785982 0.81 CYP11B2 (0.57) CYP11B2CYP3A4CYP17A1CYP11B1CYP19A1
SCHEMBL26786011 0.81 CYP11B2 (0.42) CYP11B2CYP3A4CYP17A1CYP11B1CYP19A1
SCHEMBL5119030 0.80 CYP3A4 (0.42) CYP11B2CYP3A4CYP17A1CYP11B1MAPK1
SCHEMBL16340167 0.79 NPC1 (0.42) CYP11B2CYP3A4CYP17A1CYP11B1CYP19A1
SCHEMBL13384396 0.79 CYP3A4 (0.41) CYP11B2CYP3A4CYP17A1CYP11B1NPC1
SCHEMBL6789105 0.75 PTPN1 (0.46) CYP3A4PKMMAPK1NPC1RAB9A
SCHEMBL7077942 0.75 TDP1 (0.41) CYP11B2CYP3A4CYP17A1CYP11B1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611786-B2 Manganese (III) catalyzed C—H aminations THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-04-07 US disclosed
US-20190106448-A1 MANGANESE (III) CATALYZED C--H AMINATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-11 US disclosed
US-20190106448-A1 MANGANESE (III) CATALYZED C--H AMINATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-11 US disclosed
CN-1854134-B Piperazine compounds, their preparation method and pharmaceutical composition containing same SERVIER LAB 2010-04-21 CN disclosed
US-7612061-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-11-03 US disclosed
US-20090076030-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-20090075982-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-7465733-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-12-16 US disclosed
EP-1710240-B1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists SERVIER LAB (FR) 2007-12-05 EP disclosed
CN-1854134-A Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists SERVIER LAB (FR) 2006-11-01 CN disclosed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 US disclosed
WO-2006106241-A1 PIPERAZINE DERIVATIVES AND USE THEREOF AS SEROTONIN REUPTAKE INHIBITORS OR AS NEUROKININ ANTAGONISTS LES LABORATOIRES SERVIER (FR) 2006-10-12 WO disclosed
EP-1710240-A1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists Les Laboratoires Servier (FR) 2006-10-11 EP 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 (5 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-20090075982-A1 Piperazine compounds HTR7, HTR5A, NPY5R CYP11B2 276/4885CYP3A4 462/4885CYP17A1 796/4885
US-10611786-B2 Manganese (III) catalyzed C—H aminations HLCS, NCL, NUDC CYP11B2 790/4885CYP3A4 1126/4885CYP17A1 2285/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R CYP11B2 276/4885CYP3A4 462/4885CYP17A1 796/4885
US-20190106448-A1 MANGANESE (III) CATALYZED C--H AMINATIONS HLCS, NCL, NUDC CYP11B2 1076/4885CYP3A4 1368/4885CYP17A1 3062/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R CYP11B2 276/4885CYP3A4 462/4885CYP17A1 796/4885

“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.