SCHEMBL119661

SCHEMBL119661

CC(C)(C)OC(=O)N1CCC(N2CCN(C(=O)CCc3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
CNR1 P21554 1/20 0.46
GPR4 P46093 1/20 0.45
GPR119 Q8TDV5 3/20 0.44
ENPP2 Q13822 1/20 0.44
TP53 P04637 1/20 0.43
TGFBR1 P36897 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MC4R P32245 1/20 0.43
YAP1 P46937 1/20 0.42
STS P08842 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42

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
SCHEMBL118697 0.83 HRH3 (0.57) HRH3ALDH1A1TSHRKMT2AL3MBTL3
SCHEMBL2830960 0.82 L3MBTL3 (0.65) HRH3ALDH1A1TSHRKMT2AMAPT
SCHEMBL20015404 0.80 MAOB (0.54) MAPTGPR119TGFBR1STS
SCHEMBL27502582 0.79 HRH3 (0.62) HRH3KMT2AMAPTCNR1GPR119
SCHEMBL13279636 0.78 GPR119 (0.52) MAPTGPR119TGFBR1
SCHEMBL23252437 0.78 HRH3 (0.64) HRH3ALDH1A1KMT2AMAPTCNR1
SCHEMBL16112715 0.77 TGFBR1 (0.54) MAPTGPR119TGFBR1STS
SCHEMBL144108 0.77 HRH3 (0.52) HRH3ALDH1A1TSHRKMT2AL3MBTL3
SCHEMBL19144654 0.77 L3MBTL1 (0.53) HRH3ALDH1A1TSHRMAPTGPR4
SCHEMBL22031555 0.76 L3MBTL1 (0.71) ALDH1A1TSHRKMT2AMAPTL3MBTL1

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 9 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 disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US 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-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-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US 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 972/4885ALDH1A1 2635/4885TSHR 2653/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E HRH3 972/4885ALDH1A1 2635/4885TSHR 2653/4885

“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.