SCHEMBL4772067

SCHEMBL4772067

CCN1CCN(c2nc(-c3ccc(OCC(C)O)cc3)cc3sccc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PRMT5 O14744 1/20 0.37
HPGD P15428 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
PAX8 Q06710 1/20 0.36
CXCR1 P25024 2/20 0.35
CYP2D6 P10635 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 3/20 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 SCHEMBL7778375 0.99 ALDH1A1 (0.36) CSNK2A2CSNK2BCSNK2A1PRMT5HPGD
SCHEMBL4770666 0.87 HPGD (0.40) CSNK2A2CSNK2BCSNK2A1PRMT5HPGD
Hydrochloric Acid SCHEMBL4792945 0.87 HPGD (0.39) CSNK2A2CSNK2BCSNK2A1PRMT5HPGD
SCHEMBL14103476 0.86 ADRB2 (0.36) PRMT5HPGDALDH1A1KDM4ETP53
SCHEMBL4769378 0.86 ADRB2 (0.36) PRMT5HPGDALDH1A1KDM4ETP53
SCHEMBL4771224 0.86 RAB9A (0.39) CSNK2A2CSNK2BCSNK2A1PRMT5HPGD
SCHEMBL4769943 0.85 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1HPGDALDH1A1
SCHEMBL4770376 0.85 HRH3 (0.48) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL4767964 0.85 ALDH1A1 (0.37) PRMT5HPGDALDH1A1KDM4ETP53
SCHEMBL4765469 0.85 CSNK2A2 (0.37) CSNK2A2CSNK2BCSNK2A1PRMT5HPGD

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 12 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-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP 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-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP 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 CSNK2A2 887/4885CSNK2B 862/4885CSNK2A1 661/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CSNK2A2 2189/4885CSNK2B 1865/4885CSNK2A1 1779/4885

“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.