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.

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