SCHEMBL4771189

SCHEMBL4771189

CCCN1CCN(c2nc(-c3ccc(O)cc3)cc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
PKN2 Q16513 1/20 0.45
LMNA P02545 1/20 0.45
GBA1 P04062 1/20 0.45
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SOS2 Q07890 1/20 0.40

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
SCHEMBL4764112 0.91 SMN1; SMN2 (0.47) ROCK2ROCK1PKN2LMNAGBA1
SCHEMBL4768666 0.87 SOS2 (0.52) KDM4EROCK2ROCK1PKN2LMNA
SCHEMBL4766480 0.86 DRD2 (0.51) DRD2KDM4EROCK2ROCK1PKN2
Hydrochloric Acid SCHEMBL4766737 0.85 DRD2 (0.50) DRD2KDM4EROCK2ROCK1PKN2
SCHEMBL4774659 0.85 NPC1 (0.49)
Hydrochloric Acid SCHEMBL4764283 0.84 NPC1 (0.48)
SCHEMBL4768615 0.81 ESR1 (0.43) DRD2KDM4ELMNAGBA1DRD3
SCHEMBL4766408 0.79 SMN1; SMN2 (0.46) ROCK2ROCK1PKN2LMNAGBA1
Hydrochloric Acid SCHEMBL8122991 0.79 TP53 (0.42) KDM4EKMT2AALDH1A1
SCHEMBL4770112 0.79 HTR2A (0.51) KDM4ELMNAMEN1KMT2AALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD2 1877/4885KDM4E 1050/4885ROCK2 3313/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 DRD2 237/4885KDM4E 1058/4885ROCK2 1825/4885

“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.