SCHEMBL4766716

SCHEMBL4766716

CCN1CCN(c2nc(-c3ccc(OCC#N)cc3)cc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
TP53 P04637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PKN2 Q16513 1/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRMT5 O14744 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41

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 SCHEMBL4772056 0.99 HSD17B10 (0.43) HSD17B10TP53L3MBTL1LMNAUSP2
SCHEMBL4767856 0.90 HSD17B10 (0.44) HSD17B10TP53L3MBTL1LMNAUSP2
SCHEMBL4766603 0.89 RAB9A (0.44) HSD17B10TP53L3MBTL1LMNAUSP2
Hydrochloric Acid SCHEMBL4774147 0.89 HSD17B10 (0.43) HSD17B10TP53L3MBTL1LMNAUSP2
Hydrochloric Acid SCHEMBL4774045 0.88 RAB9A (0.43) HSD17B10TP53L3MBTL1LMNAUSP2
SCHEMBL4772803 0.88 ALDH1A1 (0.51) HSD17B10TP53L3MBTL1LMNAUSP2
Hydrochloric Acid SCHEMBL4769226 0.87 ALDH1A1 (0.50) HSD17B10TP53L3MBTL1LMNAUSP2
SCHEMBL4765256 0.87 ROCK2 (0.47) L3MBTL1LMNATSHRROCK2ROCK1
Hydrochloric Acid SCHEMBL4771986 0.86 ROCK2 (0.47) L3MBTL1LMNATSHRROCK2ROCK1
SCHEMBL4086176 0.85 RAB9A (0.46) HSD17B10TP53L3MBTL1LMNAROCK2

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 HSD17B10 3854/4885TP53 2427/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HSD17B10 3472/4885TP53 3037/4885L3MBTL1 2776/4885

“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.