SCHEMBL4773255

SCHEMBL4773255

CCN1CCN(c2nc(-c3ccccc3OC)cc3ccc(OC)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
NTSR1 P30989 4/20 0.45
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
LRRK2 Q5S007 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 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 SCHEMBL4767408 0.99 MAPT (0.44) MAPTMAPK1NTSR1KDM4ETSHR
SCHEMBL4768653 0.89 CYP1A2 (0.48) MAPTMAPK1NTSR1KDM4ETSHR
Hydrochloric Acid SCHEMBL6292095 0.88 KMT2A (0.48) MAPTMAPK1NTSR1KDM4ETSHR
SCHEMBL4774677 0.87 LMNA (0.47) MAPTMAPK1NTSR1KDM4EALDH1A1
SCHEMBL4769162 0.87 KDM4E (0.48) MAPTMAPK1KDM4ETSHRALDH1A1
Hydrochloric Acid SCHEMBL4771973 0.86 KDM4E (0.48) MAPTMAPK1NTSR1KDM4ETSHR
Hydrochloric Acid SCHEMBL4772567 0.86 LMNA (0.47) MAPTMAPK1NTSR1KDM4EALDH1A1
SCHEMBL4767067 0.86 CYP2D6 (0.47) MAPTMAPK1NTSR1KDM4ETSHR
Hydrochloric Acid SCHEMBL4774369 0.85 CYP2D6 (0.47) MAPTMAPK1NTSR1KDM4ETSHR
SCHEMBL6292035 0.81 MAPT (0.45) MAPTNTSR1KDM4ETSHRALDH1A1

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 MAPT 1892/4885MAPK1 1599/4885NTSR1 911/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885MAPK1 1787/4885NTSR1 726/4885

“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.