SCHEMBL4765834

SCHEMBL4765834

CCN1CCN(c2nc(C=Cc3ccccc3OC)cc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NTSR1 P30989 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ENPP1 P22413 1/20 0.40
AURKA O14965 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 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
SCHEMBL4765829 1.00 KDM4E (0.45) KDM4EKMT2AMEN1CYP1A2CYP2C19
Oxalic Acid SCHEMBL6288628 0.94 KDM4E (0.43) KDM4EKMT2AMEN1SMN1; SMN2LMNA
Oxalic Acid SCHEMBL6288629 0.94 KDM4E (0.43) KDM4EKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4763610 0.88 KDM4E (0.42) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4763617 0.88 KDM4E (0.42) KDM4EKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4763815 0.85 SMN1; SMN2 (0.43) KMT2AMEN1CYP1A2CYP2C19CYP2D6
SCHEMBL4763810 0.85 SMN1; SMN2 (0.43) KMT2AMEN1CYP1A2CYP2C19CYP2D6
SCHEMBL4766837 0.85 KDM4E (0.47) KDM4EKMT2AMEN1CYP1A2CYP2C19
Oxalic Acid SCHEMBL4769148 0.84 KDM4E (0.46) KDM4EKMT2AMEN1CYP1A2CYP2C19
Oxalic Acid SCHEMBL4769158 0.84 KDM4E (0.46) KDM4EKMT2AMEN1CYP1A2CYP2C19

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 KDM4E 1050/4885KMT2A 1240/4885MEN1 786/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885KMT2A 1300/4885MEN1 1171/4885

“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.