SCHEMBL4763776

SCHEMBL4763776

CCN1CCN(c2nc(-c3ccc(OCCO)c(Cl)c3)cc3ccsc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.38
KMO O15229 2/20 0.36
HRH4 Q9H3N8 2/20 0.35
TRPV3 Q8NET8 1/20 0.34
SYK P43405 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MEN1 O00255 1/20 0.33
JAK2 O60674 2/20 0.33
S1PR1 P21453 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PDE5A O76074 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4774233 0.90 MALT1 (0.38) MALT1KMOALDH1A1KMT2ARXFP1
SCHEMBL4772896 0.85 SYK (0.40) SYKALDH1A1KMT2AMEN1
SCHEMBL4768384 0.85 PDE5A (0.42) SYKRXFP1PDE5AKCNH2
Hydrochloric Acid SCHEMBL4772337 0.85 SYK (0.39) SYKALDH1A1KMT2AMEN1
SCHEMBL4769957 0.84 SYK (0.35) SYKHTTKMT2ARXFP1MEN1
SCHEMBL4772893 0.83 HDAC3 (0.41) ALDH1A1HTTKMT2AMEN1
SCHEMBL4768601 0.83 KMT2A (0.42) KMOTRPV3ALDH1A1HTTKMT2A
Hydrochloric Acid SCHEMBL4770496 0.82 HDAC3 (0.40) ALDH1A1HTTKMT2AMEN1
Hydrochloric Acid SCHEMBL4774118 0.82 KMT2A (0.44) KMOTRPV3ALDH1A1HTTKMT2A
SCHEMBL4768652 0.82 MAPK1 (0.40) SYKALDH1A1KMT2AMEN1

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 10 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
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 MALT1 3280/4885KMO 1041/4885HRH4 205/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MALT1 1536/4885KMO 634/4885HRH4 213/4885

“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.