SCHEMBL4769239

SCHEMBL4769239

CCN1CCN(c2nc(-c3ccc4c(c3)CCC4O)cc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
PKN2 Q16513 1/20 0.44
CYP2D6 P10635 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKD1 Q15139 1/20 0.38
GFRA3 O60609 1/20 0.38
RET P07949 1/20 0.38
TSHR P16473 1/20 0.38
GBA1 P04062 1/20 0.37
POLB P06746 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
SCHEMBL6289327 0.81 SYK (0.46) ROCK2ROCK1PKN2CYP2D6CNR1
SCHEMBL4770771 0.80 ROCK2 (0.43) ROCK2ROCK1PKN2CYP2D6CNR1
SCHEMBL4772195 0.80 ROCK2 (0.43) ROCK2ROCK1PKN2CYP2D6CNR1
Hydrochloric Acid SCHEMBL4766788 0.80 SYK (0.45) ROCK2ROCK1PKN2CYP2D6CNR1
SCHEMBL4770774 0.80 ROCK2 (0.43) ROCK2ROCK1PKN2CYP2D6CNR1
SCHEMBL4773989 0.79 ROCK2 (0.45) ROCK2ROCK1PKN2CYP2D6CNR1
Hydrochloric Acid SCHEMBL4775558 0.79 ROCK2 (0.42) ROCK2ROCK1PKN2CYP2D6CNR1
Hydrochloric Acid SCHEMBL4775552 0.79 ROCK2 (0.42) ROCK2ROCK1PKN2CYP2D6CNR1
Hydrochloric Acid SCHEMBL4793524 0.79 ROCK2 (0.42) ROCK2ROCK1PKN2CYP2D6CNR1
SCHEMBL4764112 0.79 SMN1; SMN2 (0.47) ROCK2ROCK1PKN2CYP2D6CNR1

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-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
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 ROCK2 3313/4885ROCK1 2976/4885PKN2 1204/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ROCK2 1825/4885ROCK1 1087/4885PKN2 1418/4885

“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.