SCHEMBL4772803

SCHEMBL4772803

CCOc1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 5/20 0.51
TP53 P04637 4/20 0.51
HSD17B10 Q99714 4/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 7/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRMT5 O14744 1/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 2/20 0.46

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 SCHEMBL4769226 0.99 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL4086176 0.90 RAB9A (0.46) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL4763566 0.90 HRH3 (0.48) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4771543 0.89 RAB9A (0.45) ALDH1A1KDM4EHPGDTP53HSD17B10
Hydrochloric Acid SCHEMBL4775551 0.89 RAB9A (0.45) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL4772825 0.89 RAB9A (0.45) ALDH1A1KDM4EHPGDTP53HSD17B10
Hydrochloric Acid SCHEMBL4770729 0.89 HRH3 (0.47) ALDH1A1HPGDHSD17B10KMT2AMEN1
SCHEMBL4768918 0.88 RAB9A (0.46) ALDH1A1KDM4EHPGDTP53HSD17B10
Hydrochloric Acid SCHEMBL4770664 0.88 RAB9A (0.45) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL4766716 0.88 HSD17B10 (0.44) ALDH1A1KDM4EHPGDTP53HSD17B10

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 ALDH1A1 2989/4885KDM4E 1050/4885HPGD 1216/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KDM4E 1058/4885HPGD 1548/4885

“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.