SCHEMBL16624235

SCHEMBL16624235

CC(C)Oc1cc(C2CCCC2)c(C2CC2)cc1CO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.36
PTGDR Q13258 3/20 0.36
HTR1A P08908 1/20 0.34
SSTR5 P35346 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CAMKK2 Q96RR4 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
MDM4 O15151 1/20 0.31
MDM2 Q00987 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL16056150 0.95 SSTR5 (0.33) HTR2APTGDR2PTGDRSSTR5
SCHEMBL16616121 0.77 SSTR5 (0.50) PTGDR2PTGDRSSTR5
SCHEMBL17535937 0.77 HTR2A (0.39) HTR2APTGDR2CAMKK2
SCHEMBL16056426 0.74 HTR2A (0.35) HTR2A
SCHEMBL18022484 0.74 SSTR5 (0.42) SSTR5ALOX5APFEN1
SCHEMBL16616169 0.74 SSTR5 (0.42) HTR2APTGDR2SSTR5ALOX5APFEN1
SCHEMBL16953533 0.74 HIF1A (0.39) PTGDRHTR1A
SCHEMBL16616179 0.74 PTGDR2 (0.37) HTR2APTGDR2PTGDRHTR1AALOX5AP
SCHEMBL16055991 0.72 PTGDR2 (0.35) HTR2APTGDR2PTGDRHTR1AIRAK4
SCHEMBL16957841 0.71 PTGDR2 (0.40) PTGDR2PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US 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
US-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 US disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 US 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 HTR2A 426/4885PTGDR2 419/4885PTGDR 267/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 HTR2A 377/4885PTGDR2 364/4885PTGDR 221/4885

“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.