SCHEMBL4772896

SCHEMBL4772896

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
CXCR1 P25024 7/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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 SCHEMBL4772337 0.99 SYK (0.39) SYKKMT2AKDM4EMEN1USP2
SCHEMBL4768652 0.96 MAPK1 (0.40) SYKKMT2AKDM4EMEN1USP2
Hydrochloric Acid SCHEMBL4768564 0.95 MAPK1 (0.39) SYKKMT2AKDM4EMEN1USP2
SCHEMBL14102938 0.91 ROCK2 (0.46) SYKKMT2AALDH1A1MAPTHPGD
SCHEMBL4766069 0.91 SYK (0.43) SYKKMT2AKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4772517 0.90 SYK (0.42) SYKKMT2AKDM4EMEN1ALDH1A1
SCHEMBL4772893 0.89 HDAC3 (0.41) KMT2AKDM4EMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4770496 0.88 HDAC3 (0.40) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4764263 0.87 HRH3 (0.49) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4768384 0.87 PDE5A (0.42) SYK

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 3149/4885KMT2A 1240/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885KMT2A 1300/4885KDM4E 1058/4885

“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.