SCHEMBL4769162

SCHEMBL4769162

CCN1CCN(c2nc(-c3cc(OC)ccc3OC)cc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP1A2 P05177 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 3/20 0.41
RAB9A P51151 1/20 0.41
NOD2 Q9HC29 1/20 0.41
TP53 P04637 1/20 0.41

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
Hydrochloric Acid SCHEMBL4771973 0.99 KDM4E (0.48) KDM4EALDH1A1HPGDMAPK1MAPT
SCHEMBL4774677 0.92 LMNA (0.47) KDM4EALDH1A1HPGDMAPK1MAPT
Hydrochloric Acid SCHEMBL4772567 0.91 LMNA (0.47) KDM4EALDH1A1HPGDMAPK1MAPT
SCHEMBL4768653 0.89 CYP1A2 (0.48) KDM4EALDH1A1HPGDMAPK1MAPT
SCHEMBL4773632 0.88 KMT2A (0.46) ALDH1A1HPGDMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL6292095 0.88 KMT2A (0.48) KDM4EALDH1A1HPGDMAPK1MAPT
SCHEMBL4773255 0.87 MAPT (0.45) KDM4EALDH1A1HPGDMAPK1MAPT
Hydrochloric Acid SCHEMBL4767279 0.87 KMT2A (0.46) ALDH1A1HPGDMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL4767408 0.86 MAPT (0.44) KDM4EALDH1A1HPGDMAPK1MAPT
SCHEMBL4763566 0.84 HRH3 (0.48) KDM4EALDH1A1HPGDMAPTKMT2A

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 10 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
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 1050/4885ALDH1A1 2989/4885HPGD 1216/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885ALDH1A1 1071/4885HPGD 1548/4885

“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.