SCHEMBL16624273

SCHEMBL16624273

CCOc1cc(-c2ccc(F)c(F)c2)c(C2CC2)cc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.42
NLRP3 Q96P20 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
FFAR4 Q5NUL3 3/20 0.34
NAAA Q02083 1/20 0.33
HTR6 P50406 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
USP7 Q93009 1/20 0.32
KDM1A O60341 1/20 0.32
PTPRC P08575 1/20 0.32

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 0.89 SSTR5 (0.49) SSTR5FFAR4LMNAHPGDMAPT
SCHEMBL16616104 0.85 SSTR5 (0.41) SSTR5NLRP3FFAR4HTR6ALDH1A1
SCHEMBL18022484 0.85 SSTR5 (0.42) SSTR5FFAR4
SCHEMBL17535844 0.82 SSTR5 (0.37) SSTR5KDM1A
SCHEMBL16616477 0.82 CD274 (0.42) SSTR5NLRP3ALDH1A1MAPT
SCHEMBL16616037 0.81 SSTR5 (0.42) SSTR5CYP11B1CYP11B2FFAR4HTR6
SCHEMBL16616323 0.80 ALDH1A1 (0.39) SSTR5NLRP3CYP11B1CYP11B2CAMKK1
SCHEMBL23459196 0.78 SSTR5 (0.47) SSTR5FFAR4MAPT
SCHEMBL29993217 0.78 SSTR5 (0.47) SSTR5FFAR4MAPT
SCHEMBL23459324 0.78 SSTR5 (0.41) SSTR5LMNAHPGDMAPT

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 SSTR5 1/4885NLRP3 1368/4885CYP11B1 373/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 SSTR5 1/4885NLRP3 1569/4885CYP11B1 340/4885

“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.