SCHEMBL4768464

SCHEMBL4768464

CCN1CCN(c2nc(-c3ccc(C(=O)NCCOCc4ccccc4)cc3)cc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 12/20 0.43
DRD4 P21917 12/20 0.43
DRD3 P35462 12/20 0.43
HPGDS O60760 1/20 0.41
PRMT5 O14744 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
SCHEMBL4770554 0.87 KDM4E (0.46) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4766169 0.86 GAA (0.50) KDM4EALDH1A1TP53HPGDHSD17B10
Hydrochloric Acid SCHEMBL4765862 0.86 KDM4E (0.45) KDM4EALDH1A1TP53HPGDHSD17B10
Hydrochloric Acid SCHEMBL4770410 0.85 GAA (0.49) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4763611 0.85 SMN1; SMN2 (0.43) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4766830 0.84 MAPT (0.38) ALDH1A1TP53HSD17B10PRMT5
Hydrochloric Acid SCHEMBL4766050 0.84 SMN1; SMN2 (0.43) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4766232 0.83 HTR7 (0.41) ALDH1A1DRD2PRMT5
SCHEMBL4765280 0.83 PRMT5 (0.44) KDM4EALDH1A1HPGDPRMT5
SCHEMBL4771319 0.82 SMN1; SMN2 (0.41) KDM4EALDH1A1HPGDPRMT5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2989/4885TP53 2427/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885ALDH1A1 1071/4885TP53 3037/4885

“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.