SCHEMBL1173971

SCHEMBL1173971

CCNC(=O)C(Br)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
POLB P06746 3/20 0.44
NAAA Q02083 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MMP8 P22894 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4A O75164 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL9239192 0.86 NAAA (0.53) CES2CES1POLBNAAAMTNR1A
SCHEMBL4214155 0.82 KMT2A (0.50) CES2CES1MEN1KMT2APOLB
SCHEMBL9232927 0.82 NAAA (0.68) MEN1KMT2ANAAAKDM4ALMNA
SCHEMBL27526912 0.81 MME (0.54) CES2CES1MEN1KMT2ACNR1
SCHEMBL6432512 0.81 MEN1 (0.68) PKMMEN1KMT2APOLBCNR1
SCHEMBL13318872 0.81 PKM (0.60) PKMMEN1KMT2APOLBNAAA
SCHEMBL13913575 0.80 KMT2A (0.55) PKMCES2CES1MEN1KMT2A
SCHEMBL11402447 0.80 CYP3A4 (0.53) CES2CES1MEN1KMT2APOLB
SCHEMBL17596634 0.80 CES2 (0.52) CES2CES1POLBNAAAMTNR1A
SCHEMBL4207067 0.80 LAP3 (0.55) PKMCES2CES1POLBMTNR1A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897940-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-01 EP disclosed
EP-2897940-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-01 EP disclosed
US-8841309-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-23 US disclosed
US-8841309-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-23 US disclosed
US-8841309-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-23 US disclosed
US-20140088097-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-27 US disclosed
US-20140088097-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-27 US disclosed
WO-2014044849-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-27 WO disclosed
US-8338426-B2 Piperazinyl derivatives useful as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-12-25 US disclosed
US-8338426-B2 Piperazinyl derivatives useful as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-12-25 US disclosed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP disclosed
US-20080132540-A1 NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS CARRUTHERS NICHOLAS I 2008-06-05 US disclosed
US-7317025-B2 Non-peptidic NPY Y2 receptor inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, LLC (US) 2008-01-08 US disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 US disclosed
EP-0657452-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1995-06-14 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 (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-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R PKM 2448/4885CES2 2729/4885CES1 4115/4885
US-20140088097-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPV1 PKM 465/4885CES2 2688/4885CES1 3893/4885
US-20080132540-A1 NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS NPY2R, NPY1R, NPY5R PKM 2190/4885CES2 3323/4885CES1 3545/4885
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors NPY2R, NPY1R, NPY5R PKM 2190/4885CES2 3323/4885CES1 3545/4885

“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.