SCHEMBL149388

SCHEMBL149388

O=C(OCc1cc(Cl)cc(Cl)c1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 18/20 0.55
ATXN2 Q99700 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KCNH2 Q12809 1/20 0.47

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 SCHEMBL28168579 0.98 ENPP2 (0.54) ENPP2ATXN2POLBMAPTNPSR1
SCHEMBL542707 0.98 ENPP2 (0.56) ENPP2ATXN2POLBMAPTNPSR1
SCHEMBL28032076 0.86 ENPP2 (0.54) ENPP2ATXN2
SCHEMBL543130 0.86 ENPP2 (0.55) ENPP2ATXN2POLBKCNH2
SCHEMBL16825208 0.85 ENPP2 (0.53) ENPP2ATXN2NPSR1
SCHEMBL25208544 0.84 ENPP2 (0.53) ENPP2ATXN2
SCHEMBL6236015 0.84 MEN1 (0.62) ENPP2ATXN2NPSR1
SCHEMBL171688 0.84 ENPP2 (0.53) ENPP2ATXN2KCNH2
SCHEMBL543584 0.84 RAB9A (0.58) ENPP2ATXN2POLBMAPTNPSR1
SCHEMBL543033 0.83 HPGD (0.47) ENPP2ATXN2POLBMAPTNPSR1

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
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
CN-104968656-B autotaxin inhibitors 诺华股份有限公司 2017-08-11 CN disclosed
CN-104968656-A AUTOTAXIN INHIBITORS NOVARTIS AG 2015-10-07 CN disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US 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

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-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E ENPP2 1/4885ATXN2 1876/4885POLB 2460/4885

“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.