SCHEMBL4773849

SCHEMBL4773849

CCOC(=O)COc1ccc(-c2cc3ccsc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
ATM Q13315 1/20 0.39
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
MCHR1 Q99705 2/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CTNNB1 P35222 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4770817 0.85 HRH3 (0.40) HTR1AHTR2CKDM4EMAPTNPSR1
SCHEMBL4772896 0.85 SYK (0.40) HTR1AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4773855 0.84 HTR1A (0.40) METAP1HTR1AHTR2CKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4772337 0.84 SYK (0.39) HTR1AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4763350 0.83 METAP1 (0.49) METAP1ATMKDM4EHSD17B10ALDH1A1
SCHEMBL4768652 0.83 MAPK1 (0.40) HTR1AKDM4EHSD17B10ALDH1A1TP53
SCHEMBL4770809 0.83 KDM4E (0.38) HTR1AHTR2CKDM4EALDH1A1HPGD
SCHEMBL4764263 0.82 HRH3 (0.49) KDM4EHSD17B10ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL4768564 0.82 MAPK1 (0.39) HTR1AKDM4EHSD17B10ALDH1A1TP53
SCHEMBL4769378 0.82 ADRB2 (0.36) KDM4EHSD17B10ALDH1A1TP53HPGD

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 7 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-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 METAP1 3597/4885HTR1A 2/4885HTR2C 83/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 METAP1 2441/4885HTR1A 2/4885HTR2C 19/4885

“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.