SCHEMBL4522883

SCHEMBL4522883

O=C(c1ccc(CN2CCCCC2)cc1)C1CCN(C2CCCCC2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.51
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CCR5 P51681 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL4517105 0.87 HSD11B1 (0.45) HRH3ALDH1A1CCR5HSD11B1
SCHEMBL1177463 0.72 HRH3 (0.77) HRH3MBTD1L3MBTL3L3MBTL1KDM4E
SCHEMBL28784579 0.71 HRH3 (0.69) HRH3HDAC1HDAC8HDAC6KDM4E
SCHEMBL3275253 0.71 HRH3 (0.69) HRH3HDAC1HDAC8HDAC6KDM4E
SCHEMBL893008 0.70 POLB (0.49) ALDH1A1KMT2ASMN1; SMN2HSD11B1MEN1
SCHEMBL14230530 0.70 POLB (0.49) ALDH1A1KMT2ASMN1; SMN2HSD11B1MEN1
SCHEMBL2772979 0.70 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6KDM4E
SCHEMBL2986364 0.70 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6KDM4E
SCHEMBL27854081 0.70 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6KDM4E
Hydrochloric Acid SCHEMBL27789104 0.70 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6KDM4E

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 HRH3 3961/4885HDAC1 226/4885HDAC8 1279/4885

“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.