SCHEMBL4766321

SCHEMBL4766321

CCN1CCN(c2nc(-c3ccc(Br)cc3)cc3sccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
POLB P06746 2/20 0.41
GBA1 P04062 1/20 0.41
HPGD P15428 1/20 0.41
PAX8 Q06710 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CYP2D6 P10635 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 3/20 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
SCHEMBL4763741 0.89 CSNK2A2 (0.43) HTTALDH1A1MAPTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4772350 0.88 CSNK2A2 (0.42) HTTALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL14102732 0.87 CSNK2A2 (0.41) HTTMAPTRXFP1SMN1; SMN2POLB
SCHEMBL4772547 0.87 CSNK2A2 (0.41) HTTMAPTSMN1; SMN2POLBGBA1
SCHEMBL4770376 0.87 HRH3 (0.48) HTTALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL4773708 0.86 SMN1; SMN2 (0.39) HTTMAPTSMN1; SMN2POLBGBA1
SCHEMBL4769943 0.85 CSNK2A2 (0.40) HTTALDH1A1NPSR1MAPTTP53
SCHEMBL4772558 0.85 CSNK2A2 (0.45) HTTMAPTSMN1; SMN2POLBGBA1
SCHEMBL14102730 0.85 CSNK2A2 (0.40) HTTMAPTSMN1; SMN2POLBGBA1
SCHEMBL4764258 0.84 CSNK2A2 (0.39) HTTMAPTTP53SMN1; SMN2POLB

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
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 HTT 2446/4885ALDH1A1 2989/4885NPSR1 1494/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HTT 2151/4885ALDH1A1 1071/4885NPSR1 1759/4885

“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.