SCHEMBL4763273

SCHEMBL4763273

CCN1CCN(c2nc(-c3ccc(OCCO)c(C#N)c3)cc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PKN2 Q16513 1/20 0.39
MTOR P42345 2/20 0.39
PIK3CA P42336 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
MEN1 O00255 1/20 0.37

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 SCHEMBL7775541 0.99 XDH (0.40) XDHROCK2ROCK1PKN2MTOR
SCHEMBL14102905 0.89 ROCK2 (0.43) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
SCHEMBL4771708 0.88 PRMT5 (0.40) XDHSMN1; SMN2KMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4823958 0.88 ROCK2 (0.42) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
SCHEMBL4767415 0.87 KMT2A (0.42) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
SCHEMBL7777182 0.86 XDH (0.39) XDHROCK2ROCK1PKN2MTOR
SCHEMBL4766322 0.86 ROCK2 (0.41) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
SCHEMBL4768601 0.86 KMT2A (0.42) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6292407 0.86 KMT2A (0.41) ROCK2ROCK1PKN2SMN1; SMN2KMT2A
SCHEMBL4774280 0.86 KMT2A (0.43) ROCK2ROCK1PKN2MTORSMN1; SMN2

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 12 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-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP 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-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP 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 XDH 1681/4885ROCK2 3313/4885ROCK1 2976/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 XDH 1626/4885ROCK2 1825/4885ROCK1 1087/4885

“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.