SCHEMBL4764136

SCHEMBL4764136

CC(C)(O)COc1ccc(-c2cc3sccc3c(N3CCN(CCO)CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.44
SYK P43405 1/20 0.42
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
KMT2A Q03164 3/20 0.41
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
DRD2 P14416 6/20 0.37
HTR2A P28223 6/20 0.37
DRD3 P35462 6/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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 SCHEMBL4770497 0.99 HRH1 (0.43) HRH1SYKROCK2ROCK1KMT2A
SCHEMBL4766484 0.93 LMNA (0.39) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A
SCHEMBL4764179 0.93 CSNK2A2 (0.38) HRH1SYKCSNK2A2CSNK2BCSNK2A1
Hydrochloric Acid SCHEMBL4791984 0.92 LMNA (0.38) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A
SCHEMBL4763758 0.92 CSNK2A2 (0.41) SYKKMT2ACSNK2A2CSNK2BCSNK2A1
SCHEMBL4073036 0.91 CSNK2A2 (0.39) KMT2ACSNK2A2CSNK2BCSNK2A1DRD2
Hydrochloric Acid SCHEMBL4774193 0.91 CSNK2A2 (0.40) SYKKMT2ACSNK2A2CSNK2BCSNK2A1
Hydrochloric Acid SCHEMBL4772883 0.90 CSNK2A2 (0.39) KMT2ACSNK2A2CSNK2BCSNK2A1DRD2
Hydrochloric Acid SCHEMBL6289249 0.90 CSNK2A2 (0.39) KMT2ACSNK2A2CSNK2BCSNK2A1DRD2
SCHEMBL4770827 0.89 AURKA (0.40) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US claimed
EP-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP 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-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP 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 HRH1 278/4885SYK 3149/4885ROCK2 3313/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH1 87/4885SYK 2669/4885ROCK2 1825/4885

“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.