SCHEMBL771507

SCHEMBL771507

[CH2]C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
LMNA P02545 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
KMT2A Q03164 3/20 0.66
SIGMAR1 Q99720 1/20 0.64
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 2/20 0.62
MAPK1 P28482 2/20 0.62
FAAH O00519 1/20 0.62
TSHR P16473 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
PHGDH O43175 1/20 0.60
MGLL Q99685 1/20 0.60
MAPT P10636 1/20 0.59
HTT P42858 2/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL5543569 0.90 FAAH (0.66) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL10825084 0.85 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL27791391 0.85 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL2850013 0.85 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL611401 0.84 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL5537445 0.83 ATM (0.64) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL9510221 0.83 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL1943497 0.82 HRH3 (0.75) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL16357989 0.82 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL7973808 0.82 LMNA (0.67) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552914-B1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-11-11 EP claimed
US-9029387-B2 Benzonaphthyridinamines as autotaxin inhibitors MERCK PATENT GMBH (DE) 2015-05-12 US claimed
EP-2552914-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2013-02-06 EP claimed
US-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-10 US claimed
WO-2011116867-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2011-09-29 WO claimed
CN-114146080-A Pharmaceutical composition containing dimethyl fumarate 比奥根玛公司 2022-03-08 CN disclosed
CN-114146081-A Pharmaceutical composition containing dimethyl fumarate 比奥根玛公司 2022-03-08 CN disclosed
CN-114146079-A Pharmaceutical composition containing dimethyl fumarate 比奥根玛公司 2022-03-08 CN disclosed
CN-113244185-A Pharmaceutical composition containing dimethyl fumarate 比奥根玛公司 2021-08-13 CN disclosed
EP-2552914-B1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-11-11 EP disclosed
EP-2674160-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-10-28 EP disclosed
US-9029387-B2 Benzonaphthyridinamines as autotaxin inhibitors MERCK PATENT GMBH (DE) 2015-05-12 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ALDH1A1 750/4885LMNA 4323/4885SMN1; SMN2 4306/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885LMNA 4152/4885SMN1; SMN2 3985/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 ALDH1A1 351/4885LMNA 4828/4885SMN1; SMN2 4399/4885
US-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS ENPP2, LYPLAL1, LYPLA1 ALDH1A1 3057/4885LMNA 990/4885SMN1; SMN2 4494/4885

“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.