SCHEMBL4773666

SCHEMBL4773666

CCN1CCN(c2nc(-c3ccc(CCCO)c(C#N)c3)cc3ccsc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
SYK P43405 2/20 0.34
KDM1A O60341 2/20 0.33
RXFP1 Q9HBX9 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
RET P07949 1/20 0.32
DRD2 P14416 4/20 0.32

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
Oxalic Acid SCHEMBL4773270 0.96 KDM4E (0.35) CHUKCTSSCTSKSYKKDM1A
SCHEMBL4769957 0.87 SYK (0.35) SYKRXFP1MEN1KMT2APDE4A
SCHEMBL4763586 0.85 SYK (0.34) SYKRXFP1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4773685 0.84 SYK (0.34) SYKRXFP1KDM4EALDH1A1PDE4A
SCHEMBL6288953 0.84 ROCK2 (0.39) CHUKCTSSCTSKMEN1MAPT
Oxalic Acid SCHEMBL6289166 0.83 SYK (0.35) SYKRXFP1MEN1ALDH1A1KMT2A
SCHEMBL4765464 0.83 SYK (0.39) SYKRXFP1MEN1KMT2APDE4A
SCHEMBL4768214 0.83 MTOR (0.36) SYKMAPTKMT2A
Hydrochloric Acid SCHEMBL4765945 0.83 TSHR (0.39) CHUKCTSSCTSKMEN1MAPT
Hydrochloric Acid SCHEMBL4769740 0.82 SYK (0.39) SYKRXFP1MEN1ALDH1A1KMT2A

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 CHUK 351/4885CTSS 3290/4885CTSK 3325/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CHUK 451/4885CTSS 4049/4885CTSK 4499/4885

“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.