SCHEMBL16056102

SCHEMBL16056102

CCOc1cc(N2CCC3(CC2)OCCO3)ccc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ HSD17B10 Q99714 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CES2 O00748 1/20 0.40
▸ LGMN Q99538 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL17893686 0.89 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL16055978 0.85 TDP1 (0.49) ALDH1A1TDP1KMT2AMEN1LMNA
SCHEMBL16055437 0.84 HIF1A (0.41) ALDH1A1KMT2AMEN1POLBLGMN
SCHEMBL2831091 0.83 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL26931936 0.82 POLB (0.44) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL17893671 0.82 PRKDC (0.53) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL17893773 0.81 NPC1 (0.44) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL17535526 0.80 TDP1 (0.51) ALDH1A1TDP1KMT2AMEN1LMNA
SCHEMBL31568638 0.80 LGMN (0.41) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1958272 0.78 KMT2A (0.42) ALDH1A1TDP1KMT2AMEN1LMNA

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
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
EP-2970331-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-01-20 — — EP disclosed
WO-2014142363-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-18 — — WO 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 ALDH1A1 2449/4885TDP1 4572/4885KMT2A 2455/4885

“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.

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