SCHEMBL4770495

SCHEMBL4770495

CCN1CCN(c2nc(C=Cc3cccc(OCCOC(=O)C(=O)OCCOc4cccc(C=Cc5cc6ccccc6c(N6CCN(CC)CC6)n5)c4)c3)cc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 6/20 0.45
CYSLTR1 Q9Y271 6/20 0.45
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4767117 0.91 KMT2A (0.42) KDM4EALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL4768380 0.89 CYSLTR2 (0.41) CYSLTR2CYSLTR1KDM4EALDH1A1GAA
SCHEMBL4768388 0.89 CYSLTR2 (0.41) CYSLTR2CYSLTR1KDM4EALDH1A1GAA
SCHEMBL4764591 0.89 ALDH1A1 (0.38) KDM4EALDH1A1GAADRD2DRD4
Oxalic Acid SCHEMBL4770485 0.89 ALDH1A1 (0.46) CYSLTR2CYSLTR1KDM4EALDH1A1GAA
Oxalic Acid SCHEMBL4770498 0.89 ALDH1A1 (0.46) CYSLTR2CYSLTR1KDM4EALDH1A1GAA
SCHEMBL4768350 0.80 RAB9A (0.41) GAASMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL4763615 0.80 RAB9A (0.41) GAASMN1; SMN2CYP1A2CYP2C19KMT2A
Oxalic Acid SCHEMBL4764765 0.80 MAPT (0.41) KDM4EALDH1A1GAASMN1; SMN2CYP1A2
Oxalic Acid SCHEMBL4764768 0.80 MAPT (0.41) KDM4EALDH1A1GAASMN1; SMN2CYP1A2

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 CYSLTR2 936/4885CYSLTR1 1124/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CYSLTR2 956/4885CYSLTR1 1088/4885KDM4E 1058/4885

“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.