SCHEMBL4766932

SCHEMBL4766932

CCN1CCN(c2nc(-c3ccc(OC)nc3)cc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.51
KCNH2 Q12809 3/20 0.51
TNF P01375 1/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
PKN2 Q16513 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4763411 0.90 PDE5A (0.45) PDE5AKCNH2ROCK2ROCK1PKN2
SCHEMBL4774685 0.89 PDE5A (0.45) PDE5AKCNH2ROCK2ROCK1PKN2
SCHEMBL4773153 0.85 SMN1; SMN2 (0.47) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
SCHEMBL4763566 0.84 HRH3 (0.48) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL4770729 0.84 HRH3 (0.47) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
SCHEMBL4767877 0.83 KDM4E (0.48) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
SCHEMBL4768946 0.82 TNKS (0.45) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
SCHEMBL4774077 0.82 SMN1; SMN2 (0.46) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
SCHEMBL4770628 0.82 ROCK2 (0.41) PDE5AKCNH2ROCK2ROCK1PKN2
SCHEMBL4771479 0.82 SMN1; SMN2 (0.44) ROCK2ROCK1PKN2SMN1; SMN2KMT2A

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-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 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 114/4885TNF 3234/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PDE5A 577/4885KCNH2 42/4885TNF 3939/4885

“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.