SCHEMBL4763586

SCHEMBL4763586

CCN1CCN(c2nc(-c3ccc(CCCO)c(OC)c3)cc3ccsc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
RXFP1 Q9HBX9 3/20 0.33
HTR7 P34969 2/20 0.33
ACHE P22303 1/20 0.33
ZAP70 P43403 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE5A O76074 1/20 0.32
HTR1A P08908 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
DRD2 P14416 1/20 0.32

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 SCHEMBL4773685 0.99 SYK (0.34) SYKHRH3RXFP1HTR7ACHE
SCHEMBL4768214 0.93 MTOR (0.36) SYKHRH3HTR7PDE5AHTR1A
Oxalic Acid SCHEMBL4772215 0.89 MTOR (0.36) SYKHTR7ACHEPDE5AHTR1A
SCHEMBL4766680 0.88 ACHE (0.35) RXFP1HTR7ACHEZAP70PDE5A
SCHEMBL4769957 0.88 SYK (0.35) SYKRXFP1PDE4APDE4BPDE4C
SCHEMBL4773666 0.85 CHUK (0.35) SYKRXFP1PDE4APDE4BPDE4C
Oxalic Acid SCHEMBL6289166 0.84 SYK (0.35) SYKRXFP1PDE4APDE4BPDE4C
SCHEMBL4765464 0.84 SYK (0.39) SYKRXFP1PDE4APDE4BPDE4C
SCHEMBL4773625 0.84 ROCK2 (0.40) HTR1AKDM4EALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL4769740 0.83 SYK (0.39) SYKRXFP1PDE4APDE4BPDE4C

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-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 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 SYK 3149/4885HRH3 191/4885RXFP1 634/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885HRH3 110/4885RXFP1 82/4885

“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.