SCHEMBL4768388

SCHEMBL4768388

CCN1CCN(c2nc(C=Cc3cccc(OCCO)c3)cc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
CYP2D6 P10635 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4768380 1.00 CYSLTR2 (0.41) CYSLTR2CYSLTR1CYP2D6CNR1CNR2
Oxalic Acid SCHEMBL4770498 0.96 ALDH1A1 (0.46) CYSLTR2CYSLTR1CYP2D6CNR1CNR2
Oxalic Acid SCHEMBL4770485 0.96 ALDH1A1 (0.46) CYSLTR2CYSLTR1CYP2D6CNR1CNR2
SCHEMBL4763615 0.91 RAB9A (0.41) CYP2D6CNR1CNR2SMN1; SMN2MAPT
SCHEMBL4768350 0.91 RAB9A (0.41) CYP2D6CNR1CNR2SMN1; SMN2MAPT
SCHEMBL4770495 0.89 CYSLTR2 (0.45) CYSLTR2CYSLTR1SMN1; SMN2MAPTKDM4E
SCHEMBL4769209 0.88 KMT2A (0.38) CYP2D6CNR1CNR2SMN1; SMN2MAPT
Oxalic Acid SCHEMBL4764768 0.86 MAPT (0.41) SMN1; SMN2MAPTKDM4EALDH1A1GAA
Oxalic Acid SCHEMBL4764765 0.86 MAPT (0.41) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL4772048 0.85 CYSLTR2 (0.36) CYSLTR2CYSLTR1CYP2D6CNR1CNR2

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 CYSLTR2 936/4885CYSLTR1 1124/4885CYP2D6 3573/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CYSLTR2 956/4885CYSLTR1 1088/4885CYP2D6 2558/4885

“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.