SCHEMBL4768231

SCHEMBL4768231

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.39
RXFP1 Q9HBX9 3/20 0.35
PDE5A O76074 1/20 0.35
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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 SCHEMBL4765865 0.99 SYK (0.38) SYKRXFP1PDE5AROCK2ROCK1
SCHEMBL4765464 0.86 SYK (0.39) SYKRXFP1ROCK2ROCK1PDE4A
Hydrochloric Acid SCHEMBL4769740 0.85 SYK (0.39) SYKRXFP1ROCK2ROCK1PDE4A
SCHEMBL4768384 0.84 PDE5A (0.42) SYKRXFP1PDE5A
SCHEMBL4769957 0.83 SYK (0.35) SYKRXFP1PDE4APDE4BPDE4C
SCHEMBL4768652 0.83 MAPK1 (0.40) SYKROCK2ROCK1MEN1KMT2A
SCHEMBL4766765 0.83 ROCK2 (0.42) SYKROCK2ROCK1MEN1KMT2A
Hydrochloric Acid SCHEMBL4768564 0.82 MAPK1 (0.39) SYKMEN1KMT2A
Oxalic Acid SCHEMBL6289166 0.81 SYK (0.35) SYKRXFP1PDE4APDE4BPDE4C
SCHEMBL4770096 0.81 SYK (0.40) SYKRXFP1PDE5AROCK2ROCK1

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 SYK 3149/4885RXFP1 634/4885PDE5A 935/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885RXFP1 82/4885PDE5A 577/4885

“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.