SCHEMBL17535526

SCHEMBL17535526

CCOc1cc(N2CCC(=O)CC2)ccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ACACB O00763 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
SCHEMBL17893779 0.87 HIF1A (0.50) KMT2AMEN1CYP2C9CYP2C19MAPT
SCHEMBL16055978 0.83 TDP1 (0.49) TDP1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL16056390 0.82 HIF1A (0.44) KMT2AMEN1CYP2C9CYP2C19CYP1A2
SCHEMBL1957162 0.81 CYP2C9 (0.47) KMT2AMEN1CYP2C9CYP2C19MAPT
SCHEMBL26932182 0.80 MYC (0.47) KMT2AMEN1CYP2C9CYP2C19MAPT
SCHEMBL17893579 0.80 MYC (0.57) KMT2AMEN1MAPTALDH1A1SIRT6
SCHEMBL16056102 0.80 ALDH1A1 (0.49) TDP1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL17893656 0.79 SIRT6 (0.44) KMT2AMEN1MAPTALDH1A1SIRT6
SCHEMBL13253243 0.79 MAPT (0.49) TDP1KMT2AMEN1MAPTALDH1A1
SCHEMBL196025 0.76 SIRT6 (0.47) KMT2AMEN1MAPTALDH1A1SIRT6

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 TDP1 4572/4885KMT2A 2455/4885MEN1 185/4885

“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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