SCHEMBL4524414

SCHEMBL4524414

O=C1C(C2CCCCC2)CCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
HSD11B1 P28845 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL17138582 0.98 ALDH1A1 (0.55) ALDH1A1L3MBTL1HSD11B1MEN1KMT2A
SCHEMBL17138591 0.95 ALDH1A1 (0.51) ALDH1A1L3MBTL1MEN1KMT2ADRD2
SCHEMBL23004906 0.94 ALDH1A1 (0.58) ALDH1A1L3MBTL1HSD11B1MEN1KMT2A
SCHEMBL17138600 0.93 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD11B1MEN1KMT2A
SCHEMBL17138592 0.91 ALDH1A1 (0.58) ALDH1A1L3MBTL1HSD11B1MEN1KMT2A
SCHEMBL17138597 0.88 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2ADRD2
SCHEMBL6508105 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD11B1MEN1KMT2A
SCHEMBL4510850 0.82 GAA (0.48) ALDH1A1MEN1KMT2A
SCHEMBL4514647 0.81 ALDH1A1 (0.40) ALDH1A1L3MBTL1
SCHEMBL8564268 0.78 DDB1 (0.50) ALDH1A1L3MBTL1MEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 ALDH1A1 51/4885L3MBTL1 3517/4885HSD11B1 1/4885

“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.