SCHEMBL4766955

SCHEMBL4766955

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.44
KCNH2 Q12809 3/20 0.44
SYK P43405 2/20 0.42
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
TNF P01375 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ZAP70 P43403 1/20 0.35

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 SCHEMBL4773637 0.99 PDE5A (0.43) PDE5AKCNH2SYKPIK3CDPIK3CA
SCHEMBL4768384 0.91 PDE5A (0.42) PDE5AKCNH2SYKPIK3CDPIK3CA
Oxalic Acid SCHEMBL4766238 0.88 PDE5A (0.40) PDE5AKCNH2SYK
SCHEMBL4770096 0.86 SYK (0.40) PDE5AKCNH2SYKRXFP1ZAP70
Hydrochloric Acid SCHEMBL4828740 0.85 SYK (0.40) PDE5AKCNH2SYKRXFP1ZAP70
SCHEMBL4763411 0.83 PDE5A (0.45) PDE5AKCNH2SYK
SCHEMBL4764263 0.80 HRH3 (0.49) TNF
Hydrochloric Acid SCHEMBL4774204 0.79 HRH3 (0.48) TNF
SCHEMBL4770694 0.79 SYK (0.44) PDE5AKCNH2SYKRXFP1ZAP70
SCHEMBL4772896 0.79 SYK (0.40) SYK

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

“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.