SCHEMBL16616104

SCHEMBL16616104

CCOc1cc(-c2cccc(F)c2)c(C2CC2)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.41
NLRP3 Q96P20 7/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
GRM5 P41594 1/20 0.36
HTR6 P50406 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
DRD2 P14416 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
DHODH Q02127 1/20 0.35
SLC5A2 P31639 1/20 0.35
SLC6A2 P23975 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
SCHEMBL16616309 0.88 SSTR5 (0.49) SSTR5LMNAPTGDR2SLC5A2FFAR4
SCHEMBL16624273 0.85 SSTR5 (0.42) SSTR5NLRP3ALDH1A1LMNAHTR6
SCHEMBL17535844 0.83 SSTR5 (0.37) SSTR5HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL16616037 0.82 SSTR5 (0.42) SSTR5ALDH1A1HTR1AHTR6PTGDR2
SCHEMBL16616477 0.81 CD274 (0.42) SSTR5NLRP3ALDH1A1HTR1APTGDR2
SCHEMBL16616233 0.81 ALDH1A1 (0.38) SSTR5NLRP3ALDH1A1LMNACYP1A2
SCHEMBL23459324 0.79 SSTR5 (0.41) SSTR5LMNAPTGDR2SLC5A2
SCHEMBL29993217 0.77 SSTR5 (0.47) SSTR5PTGDR2SLC5A2FFAR4
SCHEMBL23459196 0.77 SSTR5 (0.47) SSTR5PTGDR2SLC5A2FFAR4
SCHEMBL16056426 0.77 HTR2A (0.35) CYP3A4

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 SSTR5 1/4885NLRP3 1368/4885ALDH1A1 3197/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 SSTR5 1/4885NLRP3 1569/4885ALDH1A1 3012/4885

“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.