SCHEMBL4763772

SCHEMBL4763772

CCN1CCN(c2nc(-c3ccc(OCCO)cc3)cc3ccc(F)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
HRH4 Q9H3N8 1/20 0.44
SCN9A Q15858 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CXCR1 P25024 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
SYK P43405 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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 SCHEMBL4768658 0.99 HTT (0.47) HTTHRH4SCN9AKDM4EALDH1A1
SCHEMBL4765771 0.92 HTT (0.45) HTTHRH4SCN9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4767942 0.91 HTT (0.44) HTTHRH4SCN9AKDM4EALDH1A1
SCHEMBL4766498 0.88 L3MBTL1 (0.50) HTTHRH4SCN9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4772411 0.87 TRPV4 (0.49) HTTHRH4SCN9AKDM4EALDH1A1
SCHEMBL4086176 0.87 RAB9A (0.46) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL4775551 0.86 RAB9A (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4768918 0.83 RAB9A (0.46) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4772647 0.83 SYK (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL4774080 0.82 RAB9A (0.46) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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 HTT 2446/4885HRH4 205/4885SCN9A 840/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HTT 2151/4885HRH4 213/4885SCN9A 699/4885

“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.