SCHEMBL6556765

SCHEMBL6556765

CCOc1cc(CO)cc(OCC)c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
CREBBP Q92793 1/20 0.39
TSHR P16473 4/20 0.37
CYP3A4 P08684 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.35
HSD17B10 Q99714 3/20 0.35
CALM1 P0DP23 2/20 0.35
ALOX15 P16050 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 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
SCHEMBL6555142 0.89 HTT (0.35) HTTCREBBPTSHRCYP3A4S1PR1
SCHEMBL2952226 0.87 MAPT (0.41) HTTCREBBPTSHRS1PR1S1PR3
SCHEMBL6555157 0.85 MRGPRX4 (0.49) LMNAMAPTTP53MEN1ALDH1A1
SCHEMBL6557178 0.84 TP53 (0.38) HTTTSHRMAPTHSD17B10ALOX15
SCHEMBL16055850 0.83 HTT (0.36) HTTCREBBPTSHRCYP3A4S1PR1
SCHEMBL28492538 0.81 HTT (0.41) HTTCREBBPTSHRCYP3A4S1PR1
SCHEMBL3639906 0.81 HTT (0.41) HTTCREBBPTSHRCYP3A4S1PR1
SCHEMBL13144363 0.81 TSHR (0.53) HTTTSHRLMNAHSD17B10MEN1
SCHEMBL358283 0.79 LMNA (0.45) HTTTSHRCYP3A4S1PR1S1PR3
SCHEMBL1121343 0.79 HTT (0.40) HTTCREBBPTSHRCYP3A4S1PR1

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 11 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
CN-1186328-C Substd. 5-benzyl-2,4-diaminopyrimidines BASLIDE PHARMA AG (CH) 2005-01-26 CN disclosed
EP-1230224-B1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2004-12-29 EP disclosed
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed
CN-1387516-A Substd. 5-benzyl-2,4-diaminopyrimidines BASLIDE PHARMA AG (CH) 2002-12-25 CN disclosed
EP-1230224-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-14 EP disclosed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 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 HTT 1278/4885CREBBP 331/4885TSHR 51/4885

“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.