SCHEMBL4763503

SCHEMBL4763503

C=Cc1ccc(N2CCOCC2)nn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
CNR2 P34972 11/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 5/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13837722 0.84 CYP1A2 (0.52) ALDH1A1SMN1; SMN2HTTCNR2NPC1
SCHEMBL5754979 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL24323302 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL807738 0.73 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL5084510 0.73 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL31310689 0.73 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL31047535 0.73 MEN1 (0.54) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL106639 0.73 MEN1 (0.54) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL21423998 0.73 BPTF (0.62) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL210065 0.73 CYP1A2 (0.67) ALDH1A1SMN1; SMN2HTTCNR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 ALDH1A1 2989/4885SMN1; SMN2 27/4885HTT 2446/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885SMN1; SMN2 37/4885HTT 2151/4885

“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.