SCHEMBL4764063

SCHEMBL4764063

CCN1CCN(c2nc(-c3ccc(N4CCC5(CC4)OCCO5)cc3)cc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HCRTR1 O43613 4/20 0.43
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 1/20 0.43
SYK P43405 1/20 0.42
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
AHR P35869 1/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 2/20 0.41
KDM1A O60341 1/20 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 SCHEMBL7596009 0.99 ALDH1A1 (0.42) ALDH1A1KDM4EHCRTR1LMNAL3MBTL1
SCHEMBL4773119 0.88 AHR (0.54) ALDH1A1KDM4EHCRTR1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL4770492 0.87 MAPT (0.55) ALDH1A1KDM4EHCRTR1LMNAL3MBTL1
SCHEMBL4773889 0.83 SMN1; SMN2 (0.42) ALDH1A1KDM4ELMNAL3MBTL1MAPT
SCHEMBL4771750 0.82 GFER (0.46) ALDH1A1KDM4ELMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL6288907 0.81 GFER (0.45) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL6289327 0.81 SYK (0.46) LMNAL3MBTL1MAPTSYKKDM1A
SCHEMBL4770792 0.80 PIK3CD (0.42) ALDH1A1KDM4EHCRTR1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL4766788 0.80 SYK (0.45) ALDH1A1KDM4EHCRTR1LMNAL3MBTL1
SCHEMBL4773919 0.80 SMN1; SMN2 (0.43) ALDH1A1KDM4ELMNAL3MBTL1MAPT

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 ALDH1A1 2989/4885KDM4E 1050/4885HCRTR1 2465/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KDM4E 1058/4885HCRTR1 1916/4885

“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.