SCHEMBL17535328

SCHEMBL17535328

CCOC(=O)c1cc(OCC)c(C2=CCN(C(=O)O)CC2)c(OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GLA P06280 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL17535628 0.86 PDK4 (0.46) ALDH1A1NPSR1
SCHEMBL3038011 0.79 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNACA12
SCHEMBL3662190 0.77 MAPT (0.40) ALDH1A1TRPV1MAPTSMN1; SMN2CA12
SCHEMBL17535969 0.72 GLA (0.47) ALDH1A1NPSR1MAPTGAASMN1; SMN2
SCHEMBL16113010 0.71 TSHR (0.48) ALDH1A1MAPTLMNAHSD17B10KMT2A
SCHEMBL16624214 0.71 MRGPRX4 (0.45) MAPTSMN1; SMN2LMNAHSD17B10
SCHEMBL3039898 0.70 CA12 (0.46) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL29773948 0.70 CYP11B2 (0.45) ALDH1A1TRPV1MAPTSMN1; SMN2HSD17B10
SCHEMBL16624220 0.70 MAPT (0.37) ALDH1A1MAPTGAASMN1; SMN2HSD17B10
SCHEMBL3635413 0.69 CA12 (0.58) ALDH1A1NPSR1LMNACA12CA1

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 ALDH1A1 2449/4885NPSR1 19/4885TRPV1 512/4885

“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.