SCHEMBL4766680

SCHEMBL4766680

CCN1CCN(c2nc(-c3ccc(CCCOC(C)=O)c(OC)c3)cc3ccsc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
APOBEC3A P31941 1/20 0.33
RAD52 P43351 1/20 0.33
RAB9A P51151 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL4763586 0.88 SYK (0.34) ACHEKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4773685 0.88 SYK (0.34) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4775436 0.85 APOBEC3A (0.39) ACHENPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4774233 0.82 MALT1 (0.38) ACHEALDH1A1MALT1USP2LMNA
SCHEMBL4768214 0.81 MTOR (0.36) NPSR1MAPTMALT1MAPK1KMT2A
Oxalic Acid SCHEMBL4772215 0.81 MTOR (0.36) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6289252 0.78 RXFP1 (0.33) NPSR1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL4769957 0.77 SYK (0.35) SMN1; SMN2HPGDHTTMEN1CYP2D6
Oxalic Acid SCHEMBL6289166 0.77 SYK (0.35) SMN1; SMN2ALDH1A1HPGDHTTMEN1
SCHEMBL4764263 0.76 HRH3 (0.49) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10

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 ACHE 35/4885NPSR1 1494/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ACHE 94/4885NPSR1 1759/4885SMN1; SMN2 37/4885

“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.