SCHEMBL4772497

SCHEMBL4772497

CCN1CCN(c2nc(-c3ccc(CCC(C)OC(=O)C(=O)OC(C)CCc4ccc(-c5cc6ccccc6c(N6CCN(CC)CC6)n5)cc4)cc3)cc3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PKN2 Q16513 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL4770090 0.91 DHODH (0.41) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL4771062 0.87 SMN1; SMN2 (0.41) ALDH1A1HPGDSMN1; SMN2MAPTLMNA
Oxalic Acid SCHEMBL4772488 0.86 KMT2A (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL4763825 0.83 SMN1; SMN2 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6292418 0.83 ALDH1A1 (0.39) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL4773924 0.82 SMN1; SMN2 (0.44) ALDH1A1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL4793143 0.82 DHODH (0.38) ALDH1A1KDM4ETP53HPGDHSD17B10
Hydrochloric Acid SCHEMBL4773289 0.81 SMN1; SMN2 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6288623 0.81 HRH3 (0.41) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL4763897 0.81 USP2 (0.41) ALDH1A1KDM4ETP53HPGDHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 1050/4885TP53 2427/4885

“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.