SCHEMBL148277

SCHEMBL148277

O=C(OCc1ccc(Cl)cc1)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
ENPP2 Q13822 1/20 0.49
ATXN2 Q99700 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
P2RX4 Q99571 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43

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
Hydrochloric Acid SCHEMBL357497 0.98 SCN5A (0.49) SCN5ASCN2ASCN10AENPP2ATXN2
SCHEMBL27694192 0.88 MEN1 (0.50) KMT2AMEN1NPSR1CYP2C19MAPT
SCHEMBL4678826 0.85 GRIN2B (0.52) KMT2AMEN1NPSR1CYP2C19SMN1; SMN2
SCHEMBL542709 0.85 GRIN2B (0.52) KMT2AMEN1NPSR1CYP2C19MAPT
SCHEMBL543032 0.85 KMT2A (0.48) KMT2AMEN1NPSR1ALDH1A1CYP2C19
SCHEMBL542683 0.85 MEN1 (0.58) KMT2AMEN1NPSR1ALDH1A1CYP2C19
SCHEMBL171688 0.85 ENPP2 (0.53) ENPP2ATXN2
SCHEMBL27675677 0.85 SMN1; SMN2 (0.48) KMT2AMEN1NPSR1CYP2C19SMN1; SMN2
SCHEMBL3778880 0.84 MEN1 (0.66) KMT2AMEN1NPSR1CYP2C19P2RX4
SCHEMBL17272 0.84 MEN1 (0.66) KMT2AMEN1NPSR1CYP2C19P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP claimed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO claimed
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP claimed
CN-1277824-C Piperazine derivatives HOFFMANN LA ROCHE (CH) 2006-10-04 CN claimed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8754097-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-06-17 US disclosed
US-8754097-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-06-17 US disclosed
US-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US disclosed
EP-2426106-A1 Piperidine and Piperazine derivatives for the treatment of tumours Merck Patent GmbH (DE) 2012-03-07 EP disclosed
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP disclosed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO disclosed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 US disclosed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 US disclosed
WO-2009046841-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES FOR TREATING TUMOURS MERCK PATENT GMBH (DE) 2009-04-16 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 (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-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E SCN5A 918/4885SCN2A 1534/4885SCN10A 1505/4885
US-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 SCN5A 968/4885SCN2A 416/4885SCN10A 2497/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E SCN5A 918/4885SCN2A 1534/4885SCN10A 1505/4885
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 SCN5A 968/4885SCN2A 416/4885SCN10A 2497/4885

“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.