SCHEMBL4768615

SCHEMBL4768615

CCCN1CCN(c2nc(-c3ccc(O)cc3)cc3sccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GBA1 P04062 1/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
DRD2 P14416 4/20 0.40
HTR2A P28223 3/20 0.39
DRD3 P35462 3/20 0.39
HRH1 P35367 1/20 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 0.91 CSNK2A2 (0.43) ESR1ESR2LMNAGBA1CSNK2A2
Hydrochloric Acid SCHEMBL4772350 0.90 CSNK2A2 (0.42) LMNAGBA1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4763723 0.90 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1HTR1ADRD2
SCHEMBL4771425 0.90 HRH1 (0.49) KDM4ECSNK2A2CSNK2BCSNK2A1DRD2
SCHEMBL4773680 0.89 CSNK2A2 (0.46) LMNACSNK2A2CSNK2BCSNK2A1HRH1
SCHEMBL6288884 0.86 RAB9A (0.45) LMNAHRH1
SCHEMBL4770014 0.85 NOS3 (0.43) CSNK2A2CSNK2BCSNK2A1HTR1AHTR2C
SCHEMBL4766484 0.83 LMNA (0.39) KDM4ELMNAGBA1CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL4791984 0.83 LMNA (0.38) KDM4ELMNAGBA1CSNK2A2CSNK2B
SCHEMBL4771189 0.81 DRD2 (0.45) ESR1ESR2KDM4ELMNAGBA1

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 ESR1 4147/4885ESR2 4247/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ESR1 4583/4885ESR2 4091/4885KDM4E 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.