SCHEMBL4772631

SCHEMBL4772631

CCCC(=O)NCc1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
DRD2 P14416 3/20 0.41
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.40
HTT P42858 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
LMNA P02545 1/20 0.40

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 SCHEMBL4768469 0.99 KDM4E (0.44) KDM4ECYP3A4CYP2C19L3MBTL1ADORA3
SCHEMBL4769247 0.93 KDM4E (0.43) KDM4ECYP2C19L3MBTL1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4774125 0.92 KDM4E (0.42) KDM4ECYP2C19L3MBTL1ALDH1A1HSD17B10
SCHEMBL6289209 0.92 RAB9A (0.43) KDM4ECYP3A4CYP2C19ALDH1A1HSD17B10
SCHEMBL4769884 0.87 CYP2D6 (0.52) KDM4EL3MBTL1ADORA3ALDH1A1TP53
SCHEMBL6289286 0.87 KMT2A (0.41) KDM4ECYP2C19L3MBTL1DRD2ALDH1A1
Hydrochloric Acid SCHEMBL4774124 0.86 CYP2D6 (0.53) KDM4EL3MBTL1ADORA3ALDH1A1TP53
SCHEMBL4775726 0.86 KMT2A (0.43) KDM4ECYP2C19L3MBTL1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4774261 0.86 KMT2A (0.41) KDM4ECYP2C19L3MBTL1DRD2ALDH1A1
Hydrochloric Acid SCHEMBL4774246 0.85 KMT2A (0.42) KDM4ECYP2C19L3MBTL1ALDH1A1HSD17B10

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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP 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 KDM4E 1050/4885CYP3A4 1309/4885CYP2C19 1347/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885CYP3A4 1325/4885CYP2C19 1788/4885

“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.