SCHEMBL4775436

SCHEMBL4775436

CCN1CCN(c2nc(-c3ccc(CCCOC(C)=O)c(OC)c3)cc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.39
RAD52 P43351 1/20 0.39
RAB9A P51151 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PKN2 Q16513 1/20 0.37
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL4773625 0.88 ROCK2 (0.40) APOBEC3ARAD52RAB9AAPOBEC3GALDH1A1
Hydrochloric Acid SCHEMBL4766763 0.87 ROCK2 (0.39) ALDH1A1LMNAUSP2TP53POLB
SCHEMBL4766680 0.85 ACHE (0.35) APOBEC3ARAD52RAB9AAPOBEC3GALDH1A1
Hydrochloric Acid SCHEMBL7673198 0.85 ROCK2 (0.41) ALDH1A1LMNAUSP2TP53POLB
SCHEMBL6292419 0.84 ROCK2 (0.39) ALDH1A1LMNATP53KDM4EHPGD
SCHEMBL4766502 0.82 ROCK2 (0.41) ALDH1A1LMNAUSP2TP53POLB
SCHEMBL4767877 0.81 KDM4E (0.48) RAB9AALDH1A1LMNANPSR1KDM4E
SCHEMBL4772039 0.81 MTOR (0.43) ALDH1A1LMNAUSP2TP53POLB
Hydrochloric Acid SCHEMBL6288899 0.80 MTOR (0.42) ALDH1A1LMNAUSP2TP53POLB
SCHEMBL4773278 0.80 MTOR (0.42) ALDH1A1LMNAUSP2TP53POLB

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 8 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
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 APOBEC3A 4821/4885RAD52 2723/4885RAB9A 2421/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 APOBEC3A 4345/4885RAD52 1349/4885RAB9A 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.