SCHEMBL396945

SCHEMBL396945

O=C(c1ccccc1)N1CC[N]CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.66
SIGMAR1 Q99720 1/20 0.61
ACHE P22303 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
BLM P54132 1/20 0.56
MAPK1 P28482 1/20 0.55
MAOB P27338 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.53
EPHX1 P07099 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL7129676 0.85 HPGD (0.79) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL252026 0.85 HPGD (0.79) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL5137 0.84 CYP3A4 (0.54) HPGDALDH1A1TSHRSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1597472 0.83 HPGD (0.76) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL1263133 0.81 HPGD (0.88) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL18228404 0.81 HPGD (0.96) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL254870 0.81 HPGD (0.96) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL2097737 0.81 HPGD (0.70) HPGDALDH1A1POLBCA12CA1
SCHEMBL2091763 0.81 HPGD (0.52) HPGDALDH1A1MAPK1POLBL3MBTL3
SCHEMBL2091419 0.81 ALDH1A1 (0.65) HPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815795-B2 Pyridazinone and pyridone compounds BIOTIE THERAPIES CORPORATION (FI) 2017-11-14 US claimed
EP-2683711-B1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORP (FI) 2017-02-01 EP claimed
US-20160244414-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2016-08-25 US claimed
US-9371290-B2 Pyridazinone compounds BIOTIE THERAPIES CORPORATION (FI) 2016-06-21 US claimed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US claimed
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 US claimed
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US claimed
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-03 US claimed
US-20140155431-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US claimed
US-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US claimed
EP-0083315-B1 PYRIDYL-N-OXIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1987-07-29 EP claimed
EP-0200024-A2 3-Cyano-pyridines, process for their preparation and their pharmaceutical use ARZNEIMITTELWERK DRESDEN GmbH (DE) 1986-11-05 EP claimed
US-4614739-A Oxindole derivatives, pharmaceutical compositions and use HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-30 US claimed
US-4497808-A N-Oxide compounds useful in the treatment of cardiovascular ailments CIBA-GEIGY CORPORATION (US) 1985-02-05 US claimed
EP-0062887-B1 INDOLINONE-2 DERIVATIVES, PROCESS FOR THEIR PREPARATION AND NEURO-ANABOLIC MEDIUMS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-11 EP claimed
EP-0111455-A2 Unsaturated lactones CIBA-GEIGY AG (CH) 1984-06-20 EP claimed
EP-0111453-A1 Amide derivatives CIBA-GEIGY AG (CH) 1984-06-20 EP claimed
EP-0083315-A2 Pyridyl-N-oxides, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-07-06 EP claimed
EP-0062887-A1 Indolinone-2 derivatives, process for their preparation and neuro-anabolic mediums containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-10-20 EP claimed
US-3939268-A 2,4-Diamino substituted pyridol(3,2-d)pyrimidine as antithrombotic agents BOEHRINGER INGELHEIM GMBH (DT) 1976-02-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HPGD 1121/4885SIGMAR1 2023/4885ACHE 4787/4885
US-20140155431-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HPGD 1121/4885SIGMAR1 2023/4885ACHE 4787/4885
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HPGD 1121/4885SIGMAR1 2023/4885ACHE 4787/4885
US-20160244414-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK HPGD 288/4885SIGMAR1 506/4885ACHE 220/4885
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HPGD 1121/4885SIGMAR1 2023/4885ACHE 4787/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HPGD 1121/4885SIGMAR1 2023/4885ACHE 4787/4885
US-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HPGD 1307/4885SIGMAR1 1884/4885ACHE 4738/4885

“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.