SCHEMBL4772048

SCHEMBL4772048

CCN1CCN(c2nc(C=Cc3cccc(OCCO)c3)cc3ccsc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.36
CYSLTR1 Q9Y271 5/20 0.36
MAPT P10636 2/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34

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
SCHEMBL4772047 1.00 CYSLTR2 (0.36) CYSLTR2CYSLTR1MAPTHDAC3HDAC4
Hydrochloric Acid SCHEMBL4774105 0.99 CYSLTR2 (0.35) CYSLTR2CYSLTR1MAPTHDAC3HDAC4
Hydrochloric Acid SCHEMBL4774111 0.99 CYSLTR2 (0.35) CYSLTR2CYSLTR1MAPTHDAC3HDAC4
SCHEMBL4766797 0.90 MAPT (0.39) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL4766799 0.90 MAPT (0.39) MAPTHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL4763748 0.89 MAPT (0.39) MAPTHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL4763746 0.89 MAPT (0.39) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL4768388 0.85 CYSLTR2 (0.41) CYSLTR2CYSLTR1MAPTKDM4EALDH1A1
SCHEMBL4768380 0.85 CYSLTR2 (0.41) CYSLTR2CYSLTR1MAPTKDM4EALDH1A1
SCHEMBL4772893 0.83 HDAC3 (0.41) MAPTHDAC3HDAC4HDAC1HDAC7

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 9 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-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-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 CYSLTR2 936/4885CYSLTR1 1124/4885MAPT 1892/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CYSLTR2 956/4885CYSLTR1 1088/4885MAPT 3756/4885

“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.