SCHEMBL144108

SCHEMBL144108

NC1CCN(C2CCN(C(=O)CCc3ccc(C(F)(F)F)cc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
L3MBTL3 Q96JM7 1/20 0.48
CNR1 P21554 1/20 0.47
ENPP2 Q13822 1/20 0.46
MCHR1 Q99705 2/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
SLC6A5 Q9Y345 3/20 0.41
CACNA1B Q00975 1/20 0.41
EPHX2 P34913 2/20 0.41
YAP1 P46937 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
SCHEMBL23234056 0.88 HRH3 (0.51) HRH3L3MBTL3CNR1ENPP2ALDH1A1
SCHEMBL2830960 0.84 L3MBTL3 (0.65) HRH3L3MBTL3CNR1ENPP2ALDH1A1
SCHEMBL23252437 0.78 HRH3 (0.64) HRH3CNR1ENPP2ALDH1A1KMT2A
SCHEMBL118697 0.77 HRH3 (0.57) HRH3L3MBTL3CNR1ENPP2ALDH1A1
SCHEMBL119661 0.77 HRH3 (0.53) HRH3L3MBTL3CNR1ENPP2ALDH1A1
SCHEMBL22813668 0.76 HRH3 (0.67) HRH3CNR1ALDH1A1TSHRKMT2A
SCHEMBL22588108 0.76 HRH3 (0.59) HRH3CNR1KMT2APOLBEPHX2
SCHEMBL144107 0.75 HRH3 (0.49) HRH3L3MBTL3CNR1ENPP2POLB
SCHEMBL29322341 0.75 HRH3 (0.66) HRH3CNR1ALDH1A1TSHRKMT2A
SCHEMBL15152653 0.74 POLB (0.50) HRH3L3MBTL3CNR1ENPP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP claimed
EP-2623101-A1 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-07 EP claimed
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US 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
EP-2626072-A1 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-14 EP disclosed
EP-2623101-A1 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-07 EP disclosed
EP-2623491-A2 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-07 EP disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US 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 (2 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 HRH3 972/4885L3MBTL3 4326/4885CNR1 1216/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E HRH3 972/4885L3MBTL3 4326/4885CNR1 1216/4885

“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.