SCHEMBL6136913

SCHEMBL6136913

N#Cc1cnccc1CCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTT P42858 1/20 0.38
CHRM1 P11229 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.35
GPR119 Q8TDV5 6/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
CLK1 P49759 1/20 0.34
KCNH2 Q12809 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL798353 0.89 CYP2E1 (0.41) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL7219105 0.83 CYP2E1 (0.49) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL3280017 0.82 NCOA3 (0.42) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL6472029 0.81 CYP2E1 (0.48) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL11385986 0.79 NAAA (0.41) CYP11B1CYP11B2HTTNCOA3ALDH1A1
SCHEMBL31421458 0.79 CYP2D6 (0.47) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL6626248 0.79 CYP2E1 (0.59) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL3921110 0.75 CYP2E1 (0.32) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL15467814 0.75 HTT (0.40) HTTNCOA3KDM4EALDH1A1CDK1
SCHEMBL2982329 0.75 HTR6 (0.48) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6

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-1120409-B1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2005-01-26 EP disclosed
CN-1173950-C 2,3-Disubstituted pyridine derivatives, process for preparation thereof, drug compositions containing the same and intermediates for preparation �ձ���ҩ��ʽ���� 2004-11-03 CN disclosed
US-6765095-B2 HETEROCYCLIC IMINES SUCH AS 2-PHENOXY-3-(3-(PYRIDIN-4-YL)-PROPOXY)PYRIDINE, FORMED BY ETHERIFICATION, AMINATION OR SULIFIDING, FOR USE AS PHOSPHODIESTERASE INHIBITORS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-07-20 US disclosed
US-6683186-B2 CONDENSATION, ETHERIFICATION; PHOSPHODIESTERASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-01-27 US disclosed
US-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-23 US disclosed
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-16 US disclosed
US-6555557-B1 2-(3-chlorophenoxy)-3-(3-(3-hydroxypyridin-5-yl)propoxy) -pyridine, for example; phosphodiesterase IV inhibitors DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-29 US disclosed
CN-1328547-A 2,3-Disubstituted pyridine derivatives, process for preparation thereof, drug compositions containing the same and intermediates for preparation DAINIPPON PHARMACEUTICAL CO (JP) 2001-12-26 CN disclosed
EP-1120409-A1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2001-08-01 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 (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-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 CYP2E1 240/4885CYP2C8 482/4885CYP2D6 895/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 CYP2E1 240/4885CYP2C8 482/4885CYP2D6 895/4885

“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.