SCHEMBL4773119

SCHEMBL4773119

CCN1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.54
SYK P43405 1/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 2/20 0.53
HCRTR1 O43613 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PIK3CD O00329 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM1A O60341 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45

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 SCHEMBL4770492 0.99 MAPT (0.55) AHRSYKMAPTKDM4EALDH1A1
SCHEMBL4765995 0.88 ACP1 (0.48) SYKMAPTKDM4EALDH1A1NPC1
SCHEMBL4764063 0.88 ALDH1A1 (0.43) AHRSYKMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4766949 0.87 ACP1 (0.47) MAPTKDM4EALDH1A1NPC1GAA
SCHEMBL4769271 0.87 PIK3CD (0.45) AHRSYKMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7596009 0.87 ALDH1A1 (0.42) AHRSYKMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4774371 0.86 PIK3CD (0.45) AHRSYKMAPTKDM4EALDH1A1
SCHEMBL4766842 0.86 TNKS (0.45) SYKL3MBTL1PIK3CDSMN1; SMN2KMT2A
SCHEMBL6289327 0.86 SYK (0.46) SYKMAPTLMNAL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL6288885 0.86 TNKS (0.44) SYKMAPTKDM4EALDH1A1L3MBTL1

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 AHR 3212/4885SYK 3149/4885MAPT 1892/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 AHR 2447/4885SYK 2669/4885MAPT 3756/4885

“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.