SCHEMBL4766428

SCHEMBL4766428

CCN1CCN(c2nc(C=Cc3cc(N4CCOCC4)ncn3)cc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PTK2 Q05397 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CB P42338 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PIK3CA P42336 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL4766417 1.00 LRRK2 (0.41) LRRK2KDM4EKMT2AMEN1USP2
Oxalic Acid SCHEMBL4773273 0.95 KDM4E (0.42) LRRK2KDM4EKMT2AMEN1USP2
Oxalic Acid SCHEMBL4773281 0.95 KDM4E (0.42) LRRK2KDM4EKMT2AMEN1USP2
SCHEMBL4772707 0.86 PDE10A (0.40) KDM4EKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL4772695 0.86 PDE10A (0.40) KDM4EKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL4769356 0.85 HRH3 (0.41) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4768979 0.85 PIK3CB (0.40) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL4769345 0.85 HRH3 (0.41) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6292003 0.85 PIK3CB (0.40) KDM4EKMT2AMEN1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4763354 0.85 PDE10A (0.40) KDM4EKMT2AMEN1ALDH1A1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
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 LRRK2 1106/4885KDM4E 1050/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 LRRK2 1127/4885KDM4E 1058/4885KMT2A 1300/4885

“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.