SCHEMBL4770096

SCHEMBL4770096

CCN1CCN(c2nc(-c3ccc(COCCOC)nc3)cc3ccsc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
PDE5A O76074 2/20 0.39
KCNH2 Q12809 2/20 0.39
ZAP70 P43403 1/20 0.36
RXFP1 Q9HBX9 3/20 0.35
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 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
Hydrochloric Acid SCHEMBL4828740 0.99 SYK (0.40) SYKPDE5AKCNH2ZAP70RXFP1
SCHEMBL4766955 0.86 PDE5A (0.44) SYKPDE5AKCNH2ZAP70RXFP1
Hydrochloric Acid SCHEMBL4773637 0.85 PDE5A (0.43) SYKPDE5AKCNH2ZAP70RXFP1
SCHEMBL4768231 0.81 SYK (0.39) SYKPDE5ARXFP1ROCK2ROCK1
Hydrochloric Acid SCHEMBL4765865 0.80 SYK (0.38) SYKPDE5ARXFP1ROCK2ROCK1
SCHEMBL4768384 0.80 PDE5A (0.42) SYKPDE5AKCNH2RXFP1
SCHEMBL4764263 0.78 HRH3 (0.49) KDM4EMAPK1
SCHEMBL4773526 0.77 FGFR1 (0.41) SYKRXFP1
Hydrochloric Acid SCHEMBL4774204 0.77 HRH3 (0.48) KDM4EMAPK1
Oxalic Acid SCHEMBL4766238 0.77 PDE5A (0.40) SYKPDE5AKCNH2KDM4E

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 SYK 3149/4885PDE5A 935/4885KCNH2 114/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885PDE5A 577/4885KCNH2 42/4885

“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.