SCHEMBL4773664

SCHEMBL4773664

CCN1CCN(c2nc(-c3ccc(OCCC(C)(C)O)cc3)cc3ccoc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CXCR1 P25024 7/20 0.38
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35

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 SCHEMBL4763974 0.99 KDM4E (0.38) KDM4EALDH1A1HSD17B10USP2TSHR
Hydrochloric Acid SCHEMBL6726417 0.91 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10USP2TSHR
SCHEMBL6289256 0.89 MAPK1 (0.41) KDM4EALDH1A1HSD17B10USP2TSHR
SCHEMBL4770738 0.88 MAPK1 (0.42) KDM4EALDH1A1HSD17B10USP2TSHR
Hydrochloric Acid SCHEMBL4771070 0.87 MAPK1 (0.42) KDM4EALDH1A1HSD17B10USP2TSHR
Oxalic Acid SCHEMBL4793452 0.85 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10USP2TSHR
SCHEMBL4772987 0.83 HRH3 (0.46) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL6288614 0.83 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10USP2TSHR
SCHEMBL4773253 0.83 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10USP2TSHR
SCHEMBL4774205 0.83 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10USP2TSHR

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 KDM4E 1050/4885ALDH1A1 2989/4885HSD17B10 3854/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885ALDH1A1 1071/4885HSD17B10 3472/4885

“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.