SCHEMBL4772217

SCHEMBL4772217

CCNS(=O)(=O)c1ccc(-c2cc3ccccc3c(N3CCN(CCOC(=O)C(=O)OCCN4CCN(c5nc(-c6ccc(S(=O)(=O)NCC)cc6)cc6ccccc56)CC4)CC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.42
HTR6 P50406 13/20 0.42
DRD2 P14416 12/20 0.42
HTR2A P28223 12/20 0.42
HTR1A P08908 3/20 0.40
GBA1 P04062 2/20 0.39
ADRA2A P08913 1/20 0.38
PHGDH O43175 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4765132 0.89 GBA1 (0.39) HTR7HTR6DRD2HTR2AGBA1
SCHEMBL4767462 0.88 DRD2 (0.47) HTR7HTR6DRD2HTR2AHTR1A
Oxalic Acid SCHEMBL4772211 0.87 KDM4E (0.46) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL4771141 0.86 GBA1 (0.43) HTR7HTR6DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL4770876 0.85 GBA1 (0.43) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL4774328 0.82 GBA1 (0.43) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL4770341 0.81 DRD2 (0.47) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL4773646 0.81 ROCK2 (0.53) HTR7HTR6DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL4766031 0.80 DRD2 (0.46) HTR7HTR6DRD2HTR2AHTR1A
SCHEMBL4765764 0.80 ALDH1A1 (0.46) HTR7HTR6DRD2HTR2AHTR1A

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 6 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-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 HTR7 17/4885HTR6 127/4885DRD2 237/4885

“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.