SCHEMBL6288948

SCHEMBL6288948

CCN1CCN(c2nc(-c3ccc(OC(C)CO)cc3)cc3ccsc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.38
RXFP1 Q9HBX9 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GPR119 Q8TDV5 1/20 0.33
GBA1 P04062 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GCK P35557 1/20 0.32
KCNH2 Q12809 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PRMT5 O14744 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 SCHEMBL4766626 0.99 SYK (0.37) SYKRXFP1KMT2AMEN1HPGD
SCHEMBL4772890 0.90 HPGD (0.37) SYKRXFP1KMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL4772331 0.89 HPGD (0.38) SYKRXFP1KMT2AMEN1HPGD
SCHEMBL4764086 0.88 RXFP1 (0.35) SYKRXFP1KMT2AMEN1HPGD
SCHEMBL4764095 0.88 RXFP1 (0.35) SYKRXFP1KMT2AMEN1HPGD
SCHEMBL4765469 0.86 CSNK2A2 (0.37) SYKKMT2AMEN1HPGDALDH1A1
SCHEMBL14103099 0.86 CSNK2A2 (0.37) SYKKMT2AMEN1HPGDALDH1A1
SCHEMBL4772896 0.85 SYK (0.40) SYKKMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL4764682 0.85 HPGD (0.36) SYKKMT2AMEN1HPGDALDH1A1
SCHEMBL4764263 0.85 HRH3 (0.49) KMT2AMEN1HPGDALDH1A1LMNA

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 7 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
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-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 (1 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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885RXFP1 82/4885KMT2A 1300/4885

“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.