SCHEMBL4770817

SCHEMBL4770817

CCOC(=O)CCc1ccc(-c2cc3ccsc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
SYK P43405 5/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
MCHR1 Q99705 1/20 0.36
CYP4Z1 Q86W10 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 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
SCHEMBL4770508 0.89 RXFP1 (0.40) HTR1ARXFP1SYKMCHR1PDE3B
SCHEMBL4773849 0.85 METAP1 (0.41) HTR1AHTR2CRXFP1TSHRKDM4E
SCHEMBL6288623 0.83 HRH3 (0.41) HRH3CYP4F2CYP4A11KDM4EMCHR1
SCHEMBL4765464 0.83 SYK (0.39) HTR2CRXFP1SYKPDE3BPDE3A
SCHEMBL4766183 0.83 RXFP1 (0.41) RXFP1SYKTSHRKDM4EHTT
SCHEMBL4770809 0.83 KDM4E (0.38) HTR1AHTR2CRXFP1SYKTSHR
Hydrochloric Acid SCHEMBL4769740 0.82 SYK (0.39) HTR2CRXFP1SYKPDE3BPDE3A
SCHEMBL4771981 0.81 RXFP1 (0.38) HRH3RXFP1SYKPDE3BPDE3A
SCHEMBL4774234 0.81 SYK (0.38) HRH3RXFP1SYKPDE3BPDE3A
SCHEMBL4769430 0.81 RXFP1 (0.37) HRH3HTR1AHTR2CRXFP1SYK

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 HRH3 191/4885HTR1A 2/4885HTR2C 83/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH3 110/4885HTR1A 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.