SCHEMBL491782

SCHEMBL491782

O=C1CCCCCC1N1CCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.57
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
HCAR1 Q9BXC0 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRC P12931 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL28448071 1.00 SLC18A3 (0.57) SLC18A3KMT2AALDH1A1KDM4ECA1
SCHEMBL10562193 1.00 SLC18A3 (0.57) SLC18A3KMT2AALDH1A1KDM4ECA1
SCHEMBL31122399 1.00 SLC18A3 (0.57) SLC18A3KMT2AALDH1A1KDM4ECA1
SCHEMBL30456355 1.00 SLC18A3 (0.57) SLC18A3KMT2AALDH1A1KDM4ECA1
SCHEMBL11245821 1.00 SLC18A3 (0.57) SLC18A3KMT2AALDH1A1KDM4ECA1
SCHEMBL30456604 1.00 SLC18A3 (0.57) SLC18A3KMT2AALDH1A1KDM4ECA1
SCHEMBL23595723 1.00 SLC18A3 (0.57) SLC18A3KMT2AALDH1A1KDM4ECA1
SCHEMBL13917788 1.00 SLC18A3 (0.57) SLC18A3KMT2AALDH1A1KDM4ECA1
SCHEMBL7343040 0.98 SLC18A3 (0.59) SLC18A3KMT2AALDH1A1KDM4ECA1
SCHEMBL304915 0.96 SLC18A3 (0.56) SLC18A3KMT2AALDH1A1KDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116390727-A N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof 默沙东有限责任公司 2023-07-04 CN claimed
EP-1348765-B1 Process for the preparation of optically active azabicyclo heptanone derivatives COUNCIL SCIENT IND RES (IN) 2006-05-24 EP claimed
CN-116390727-A N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof 默沙东有限责任公司 2023-07-04 CN disclosed
US-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 US disclosed
US-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 US disclosed
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 US disclosed
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2007-04-05 US disclosed
EP-1348765-B1 Process for the preparation of optically active azabicyclo heptanone derivatives COUNCIL SCIENT IND RES (IN) 2006-05-24 EP disclosed
EP-1348765-A1 Process for the preparation of optically active azabicyclo heptanone derivatives Council of Scientific and Industrial Research (IN) 2003-10-01 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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 SLC18A3 52/4885KMT2A 3238/4885ALDH1A1 1707/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 SLC18A3 52/4885KMT2A 3238/4885ALDH1A1 1707/4885

“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.