SCHEMBL16616233

SCHEMBL16616233

CCOc1cc(-c2cccc(F)c2)c(C2CC2)cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
NLRP3 Q96P20 6/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM5 P41594 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR6 P50406 2/20 0.34
DRD2 P14416 1/20 0.34
DHODH Q02127 1/20 0.34
SSTR5 P35346 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL16055474 0.87 SSTR5 (0.42) ALDH1A1KDM4ELMNAPOLBSSTR5
SCHEMBL16616387 0.87 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAHTR7POLB
SCHEMBL16616323 0.85 ALDH1A1 (0.39) ALDH1A1KDM4ELMNANLRP3POLB
SCHEMBL16056313 0.84 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL16616393 0.83 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAHTR1APOLB
SCHEMBL16055749 0.81 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAPOLB
SCHEMBL16616104 0.81 SSTR5 (0.41) ALDH1A1LMNANLRP3HTR1AHTR7
SCHEMBL16056064 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAPOLB
SCHEMBL17535422 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ESSTR5MAPT
SCHEMBL16616232 0.77 ERN1 (0.44) ALDH1A1KDM4EPOLBMAPK1DRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055309-B1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICALS CO (JP) 2018-06-13 EP disclosed
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
US-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 US disclosed
EP-3055309-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) Takeda Pharmaceutical Company Limited (JP) 2016-08-17 EP disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
WO-2015052910-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 WO disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 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 (2 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-20150099777-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 ALDH1A1 3197/4885KDM4E 3637/4885LMNA 3973/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 ALDH1A1 3012/4885KDM4E 3670/4885LMNA 3806/4885

“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.