SCHEMBL4773855

SCHEMBL4773855

CCOC(=O)COc1ccccc1-c1cc2ccsc2c(N2CCN(CC)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
PTPN1 P18031 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
PTK2 Q05397 1/20 0.37
MEN1 O00255 1/20 0.37
METAP1 P53582 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL4772789 0.85 METAP1 (0.42) PTPN1LMNAMAPTALDH1A1KDM4E
SCHEMBL4773849 0.84 METAP1 (0.41) HTR1AHTR2CLMNAMAPTALDH1A1
SCHEMBL4774339 0.83 METAP1 (0.40) PTPN1LMNAMAPTALDH1A1KDM4E
SCHEMBL4769438 0.82 F2RL3 (0.40) PTPN1MAPTALDH1A1KDM4EKMT2A
SCHEMBL4770817 0.79 HRH3 (0.40) HTR1AHTR2CLMNAMAPTKDM4E
SCHEMBL6859470 0.74 ALDH1A1 (0.40) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL4770809 0.74 KDM4E (0.38) HTR1AHTR2CLMNAMAPTALDH1A1
SCHEMBL4770235 0.71 HPGD (0.37) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL4763350 0.71 METAP1 (0.49) LMNAMAPTALDH1A1KDM4EKMT2A
SCHEMBL4767455 0.71 CYP4F2 (0.44) LMNAALDH1A1KMT2AMEN1SMN1; SMN2

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 HTR1A 2/4885HTR2C 83/4885PTPN1 4140/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HTR1A 2/4885HTR2C 19/4885PTPN1 4030/4885

“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.