SCHEMBL17535855

SCHEMBL17535855

CCOc1cc(CO)cc(C2CC2)c1N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
ALDH1A1 P00352 8/20 0.36
MAPT P10636 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 3/20 0.33
LMNA P02545 2/20 0.33
MPI P34949 2/20 0.33
MCL1 Q07820 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL17535965 0.80 KDM4E (0.43) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL16055850 0.75 HTT (0.36) HTTALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL16952573 0.73 HTT (0.49) HTTALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL16960819 0.71 HTT (0.47) HTTALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL17535482 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL17535363 0.68 SSTR5 (0.48)
SCHEMBL17535419 0.67 CHRM2 (0.45) HTTALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL1121450 0.66 DHFR (0.52) HTTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL16056426 0.66 HTR2A (0.35) HTTMAPTKDM4EMAPK1
SCHEMBL17535937 0.66 HTR2A (0.39) HTTALDH1A1MAPTCYP1A2CYP2C9

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 HTT 1278/4885ALDH1A1 2449/4885MAPT 3594/4885

“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.