SCHEMBL17535965

SCHEMBL17535965

CCOc1cc(C=O)cc(C2CC2)c1N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 8/20 0.39
ALDH1A3 P47895 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17535855 0.80 HTT (0.45) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL16056078 0.78 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL16055545 0.77 ALDH1A1 (0.45) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL16616028 0.76 POLB (0.43) KDM4EALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL16056140 0.76 KDM4E (0.55) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL16055755 0.74 ALDH1A1 (0.45) KDM4EALDH1A1ALDH1A3KMT2AL3MBTL1
SCHEMBL2962020 0.73 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL2963966 0.73 ALDH1A1 (0.58) KDM4EALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL16055692 0.72 ALDH1A1 (0.49) KDM4EALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL16616036 0.72 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 US 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 KDM4E 3566/4885ALDH1A1 2449/4885ALDH1A3 3157/4885

“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.