SCHEMBL968215

SCHEMBL968215

COc1nc(N2CCOCC2)cc(Cl)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 1/20 0.52
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KMT2A Q03164 4/20 0.46
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
POLB P06746 1/20 0.43
PIK3CA P42336 1/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL971805 0.78 HTT (0.46) MAPTCYP1A2CYP2D6KMT2ACYP2C19
SCHEMBL24196425 0.77 CRHBP (0.49) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL969606 0.77 CYP1A2 (0.52) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL2416637 0.75 SMPD3 (0.47) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL25528727 0.74 CYP2C19 (0.47) MAPTCYP1A2CYP2D6CRHBPCRHR2
Hydrochloric Acid SCHEMBL6336950 0.74 SMPD3 (0.46) MAPTCYP1A2CYP2D6CRHBPCRHR2
SCHEMBL5765855 0.73 MAPK1 (0.50) MAPTKMT2AMEN1POLBPIK3CA
SCHEMBL973175 0.73 KCNQ3 (0.51) MAPTKMT2APRKAB2PRKAG1PRKAA2
SCHEMBL30824626 0.73 KCNQ3 (0.51) MAPTKMT2APRKAB2PRKAG1PRKAA2
SCHEMBL15938813 0.73 CYP2C19 (0.56) MAPTCYP1A2CYP2D6CRHBPCRHR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298766-B1 Pharmaceutical formulations comrpising a substituted pyridine derivative LUNDBECK & CO AS H (DK) 2013-09-18 EP disclosed
US-8299071-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
EP-2298766-A1 Substituted pyridine derivatives H. Lundbeck A/S (DK) 2011-03-23 EP disclosed
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-01-06 US disclosed
US-7812020-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2010-10-12 US disclosed
US-20080318953-A1 Substituted Pyridine Derivatives H. LUNDBECK A/S (DK) 2008-12-25 US disclosed
EP-1861394-A1 SUBSTITUTED PYRIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-12-05 EP disclosed
WO-2006092143-A1 SUBSTITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-09-08 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-20080318953-A1 Substituted Pyridine Derivatives KCNQ2, KCNQ1, KCNQ5 MAPT 1188/4885CYP1A2 801/4885CYP2D6 525/4885
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES KCNQ2, KCNQ1, KCNQ5 MAPT 1133/4885CYP1A2 652/4885CYP2D6 400/4885

“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.