SCHEMBL4774677

SCHEMBL4774677

CCN1CCN(c2nc(-c3ccc(OC)cc3OC)cc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 1/20 0.47
NOD2 Q9HC29 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 4/20 0.45
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.42
NTSR1 P30989 1/20 0.42
CRHR1 P34998 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Hydrochloric Acid SCHEMBL4772567 0.99 LMNA (0.47) LMNAMAPK1RAB9ANOD2KDM4E
SCHEMBL4769162 0.92 KDM4E (0.48) LMNAMAPK1RAB9ANOD2KDM4E
Hydrochloric Acid SCHEMBL4771973 0.91 KDM4E (0.48) LMNAMAPK1RAB9ANOD2KDM4E
SCHEMBL6726422 0.90 KDM4E (0.44) LMNAMAPK1RAB9ANOD2KDM4E
SCHEMBL4770966 0.89 LMNA (0.42) LMNAMAPK1RAB9ANOD2KDM4E
SCHEMBL4768653 0.89 CYP1A2 (0.48) LMNAMAPK1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6292095 0.88 KMT2A (0.48) LMNAMAPK1KDM4EALDH1A1HPGD
SCHEMBL4773632 0.88 KMT2A (0.46) LMNAALDH1A1HPGDPOLBMAPT
SCHEMBL4773255 0.87 MAPT (0.45) MAPK1KDM4EALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL4767279 0.87 KMT2A (0.46) LMNAALDH1A1HPGDPOLBMAPT

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 10 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
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 LMNA 1057/4885MAPK1 1599/4885RAB9A 2421/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 LMNA 1917/4885MAPK1 1787/4885RAB9A 2304/4885

“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.