SCHEMBL4770341

SCHEMBL4770341

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.47
HTR2A P28223 13/20 0.47
HTR7 P34969 13/20 0.47
HTR6 P50406 13/20 0.47
HTR1A P08908 2/20 0.44
PDE10A Q9Y233 1/20 0.42
GBA1 P04062 1/20 0.41
SYK P43405 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 SCHEMBL4766031 0.99 DRD2 (0.46) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL4765144 0.92 HTR7 (0.46) DRD2HTR2AHTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL4773769 0.91 HTR7 (0.45) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL4771141 0.90 GBA1 (0.43) DRD2HTR2AHTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL4770876 0.89 GBA1 (0.43) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL4765764 0.89 ALDH1A1 (0.46) DRD2HTR2AHTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL4770604 0.88 ALDH1A1 (0.46) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL4766283 0.87 GBA1 (0.44) DRD2HTR2AHTR7HTR6GBA1
SCHEMBL4767462 0.87 DRD2 (0.47) DRD2HTR2AHTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL4763563 0.86 GBA1 (0.43) DRD2HTR2AHTR7HTR6GBA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US 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
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 DRD2 1877/4885HTR2A 63/4885HTR7 22/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 DRD2 237/4885HTR2A 40/4885HTR7 17/4885

“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.