SCHEMBL4766232

SCHEMBL4766232

CCN1CCN(c2nc(-c3ccc(S(=O)(=O)NCCOCc4ccccc4)cc3)cc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.41
DRD2 P14416 8/20 0.41
HTR2A P28223 8/20 0.41
HTR6 P50406 8/20 0.41
PRMT5 O14744 1/20 0.41
HTR1A P08908 3/20 0.39
GBA1 P04062 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
ADAM17 P78536 1/20 0.37
ADAM9 Q13443 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 1/20 0.37
ADRA2A P08913 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
SCHEMBL4772068 0.89 PRMT5 (0.40) PRMT5GBA1LMNAMAPTSMN1; SMN2
SCHEMBL4765764 0.89 ALDH1A1 (0.46) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL4763853 0.88 PRMT5 (0.40) PRMT5GBA1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4770604 0.88 ALDH1A1 (0.46) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL4765144 0.87 HTR7 (0.46) HTR7DRD2HTR2AHTR6HTR1A
Hydrochloric Acid SCHEMBL4773769 0.86 HTR7 (0.45) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL4770341 0.85 DRD2 (0.47) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL4771141 0.85 GBA1 (0.43) HTR7DRD2HTR2AHTR6HTR1A
Hydrochloric Acid SCHEMBL4766031 0.84 DRD2 (0.46) HTR7DRD2HTR2AHTR6HTR1A
Hydrochloric Acid SCHEMBL4770876 0.84 GBA1 (0.43) HTR7DRD2HTR2AHTR6HTR1A

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 HTR7 22/4885DRD2 1877/4885HTR2A 63/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HTR7 17/4885DRD2 237/4885HTR2A 40/4885

“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.