SCHEMBL4768652

SCHEMBL4768652

CCN1CCN(c2nc(-c3ccc(OCCCO)cc3)cc3ccsc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SYK P43405 3/20 0.40
CXCR1 P25024 6/20 0.39
XDH P47989 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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 SCHEMBL4768564 0.99 MAPK1 (0.39) MAPK1RAB9ASYKCXCR1XDH
SCHEMBL4772896 0.96 SYK (0.40) MAPK1RAB9ASYKCXCR1HTR1A
Hydrochloric Acid SCHEMBL4772337 0.95 SYK (0.39) MAPK1RAB9ASYKCXCR1HTR1A
SCHEMBL14102938 0.87 ROCK2 (0.46) RAB9ASYKCXCR1HTR1ADRD2
SCHEMBL4766069 0.87 SYK (0.43) RAB9ASYKCXCR1KDM4EALDH1A1
SCHEMBL4765464 0.86 SYK (0.39) SYKHTR2AHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL4772517 0.86 SYK (0.42) RAB9ASYKCXCR1KDM4EALDH1A1
SCHEMBL4764263 0.86 HRH3 (0.49) MAPK1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4771224 0.85 RAB9A (0.39) MAPK1RAB9ASYKCXCR1XDH
SCHEMBL4772893 0.85 HDAC3 (0.41) MAPK1RAB9AHTR1ADRD2HTR2A

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 9 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
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 MAPK1 1599/4885RAB9A 2421/4885SYK 3149/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPK1 1787/4885RAB9A 2304/4885SYK 2669/4885

“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.