SCHEMBL4769209

SCHEMBL4769209

CCN1CCN(c2nc(C=CCc3cccc(OCCO)c3)cc3ccccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PRMT5 O14744 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 3/20 0.36
HTR1A P08908 2/20 0.36
HTR2B P41595 1/20 0.36
DRD4 P21917 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
Oxalic Acid SCHEMBL4764583 0.96 ALDH1A1 (0.44) KMT2AMEN1CYP2D6CNR1CNR2
SCHEMBL4764591 0.90 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4768380 0.88 CYSLTR2 (0.41) KMT2AMEN1CYP2D6CNR1CNR2
SCHEMBL4768388 0.88 CYSLTR2 (0.41) KMT2AMEN1CYP2D6CNR1CNR2
Oxalic Acid SCHEMBL4770485 0.84 ALDH1A1 (0.46) KMT2AMEN1CYP2D6CNR1CNR2
Oxalic Acid SCHEMBL4770498 0.84 ALDH1A1 (0.46) KMT2AMEN1CYP2D6CNR1CNR2
SCHEMBL4769202 0.84 SMN1; SMN2 (0.38) KMT2AMEN1CYP2D6CNR1CNR2
SCHEMBL4768350 0.83 RAB9A (0.41) KMT2AMEN1CYP2D6CNR1CNR2
SCHEMBL4763615 0.83 RAB9A (0.41) KMT2AMEN1CYP2D6CNR1CNR2
SCHEMBL4766637 0.82 KCNH2 (0.41) KMT2ACYP2D6CNR1CNR2PRMT5

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 KMT2A 1240/4885MEN1 786/4885CYP2D6 3573/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMT2A 1300/4885MEN1 1171/4885CYP2D6 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.