SCHEMBL5604546

SCHEMBL5604546

COCCNc1n[c]cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 5/20 0.43
NCF1 P14598 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ATM Q13315 2/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5604321 0.79 KMT2A (0.58) KDM4EGAAMEN1KMT2AMAPK1
SCHEMBL9845941 0.77 LMNA (0.38) GAAMAPTHTTMEN1KMT2A
SCHEMBL754407 0.72 CDK1 (0.30) GAAMEN1KMT2AMAPK1
SCHEMBL5596570 0.72 KCNH3 (0.41) KCNH3KDM4EMAPTHTTALDH1A1
SCHEMBL91582 0.71 MKNK1 (0.51) KCNH3NCF1KDM4EMAPTALDH1A1
SCHEMBL5604519 0.70
SCHEMBL2638129 0.69 KMT2A (0.49) KDM4EGAAMAPTHTTMEN1
SCHEMBL7718741 0.68 KCNH3 (0.44) KCNH3NCF1KDM4EGAAMAPT
SCHEMBL30785004 0.67 KCNH3 (0.54) KCNH3NCF1KDM4EHTTALDH1A1
SCHEMBL9009791 0.67 KCNH3 (0.54) KCNH3NCF1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651234-B1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-7235547-B2 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. (US) 2007-06-26 US disclosed
EP-1651234-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-03 EP disclosed
US-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. 2005-03-03 US disclosed
WO-2005014002-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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 (1 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-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist GRM2, GRIK2, GRIA2 KCNH3 553/4885NCF1 3976/4885KDM4E 863/4885

“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.