SCHEMBL144518

SCHEMBL144518

O=C(O)Oc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.54
NOS1 P29475 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
OGT O15294 1/20 0.44
ALPL P05186 1/20 0.43
POLB P06746 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 1/20 0.42
KMO O15229 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CA9 Q16790 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL9610690 0.89 CREBBP (0.56) CREBBPNOS1KDM4EALDH1A1PDE3B
SCHEMBL3633406 0.87 NOS1 (0.51) CREBBPNOS1KDM4EALDH1A1PDE3B
SCHEMBL28723832 0.86 CREBBP (0.52) CREBBPNOS1KDM4EALDH1A1PDE3B
SCHEMBL9610684 0.84 KMT2A (0.59) CREBBPNOS1KDM4EALDH1A1OGT
SCHEMBL14563058 0.83 CREBBP (0.61) CREBBPNOS1KDM4EALDH1A1PDE3B
SCHEMBL18785888 0.82 CREBBP (0.52) CREBBPNOS1KDM4EALDH1A1POLB
SCHEMBL16963882 0.81 NOS1 (0.59) CREBBPNOS1KDM4EALDH1A1PDE3B
SCHEMBL9610679 0.81 CREBBP (0.51) CREBBPNOS1KDM4EALDH1A1PDE3B
SCHEMBL15395817 0.81 NOS1 (0.56) CREBBPNOS1KDM4EALDH1A1PDE3B
SCHEMBL17717880 0.80 CREBBP (0.50) CREBBPNOS1KDM4EALDH1A1PDE3B

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 11 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-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
EP-2414330-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-05-01 EP 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 (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 CREBBP 2904/4885NOS1 4560/4885KDM4E 1526/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E CREBBP 2904/4885NOS1 4560/4885KDM4E 1526/4885

“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.