SCHEMBL16624277

SCHEMBL16624277

CCOc1cc(-c2ccc(F)c(F)c2)c(Br)cc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
CHRNA7 P36544 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
SLC6A3 Q01959 2/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SLC6A4 P31645 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL16616252 0.88 SLC6A3 (0.50) TDP1CHRNA7ALDH1A1HTTSMN1; SMN2
SCHEMBL16624251 0.83 SLC6A3 (0.39) MAPTSLC6A3FFAR4SLC6A4
SCHEMBL16624260 0.82 TDP1 (0.56) TDP1CHRNA7ALDH1A1HTTSMN1; SMN2
SCHEMBL16055476 0.82 SMN1; SMN2 (0.47) TDP1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL16055343 0.82 LMNA (0.45) TDP1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL16055062 0.81 MAPT (0.44) TDP1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL20561803 0.78 TSHR (0.50) TDP1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL23460477 0.77 MAPT (0.43) TDP1CHRNA7ALDH1A1HTTSMN1; SMN2
SCHEMBL7802388 0.76 TDP1 (0.52) TDP1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL16056207 0.75 TDP1 (0.53) TDP1ALDH1A1LMNAMAPTGAA

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 TDP1 4624/4885CHRNA7 2528/4885ALDH1A1 3197/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 TDP1 4538/4885CHRNA7 2570/4885ALDH1A1 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.