SCHEMBL16624236

SCHEMBL16624236

COC(=O)c1cc(Br)c(C2CCCC2)cc1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
PTGDR Q13258 3/20 0.38
YAP1 P46937 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 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
SCHEMBL16056079 0.95 PDK2 (0.36) OPRK1YAP1KDM4EMAPTALDH1A1
SCHEMBL16054952 0.85 IRAK4 (0.37) PTGDR2PTGDRCAMKK2KDM4EMAPT
SCHEMBL16055270 0.84 PDK2 (0.38) PTGDR2PTGDRKDM4EALDH1A1GAA
SCHEMBL16056066 0.81 GAA (0.44) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL16056242 0.80 TDP1 (0.43) OPRK1PTGDR2KDM4EKMT2AMAPT
SCHEMBL16624228 0.77 CA12 (0.41) OPRK1YAP1KDM4EKMT2AMAPT
SCHEMBL16056269 0.76 TDP1 (0.45) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL16624242 0.76 PDE4B (0.43) CAMKK2
SCHEMBL16055526 0.75 MAPT (0.38) OPRK1KDM4EMAPTALDH1A1TSHR
SCHEMBL24515856 0.75 SOS1 (0.43) KDM4EMAPTALDH1A1TSHRGAA

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 OPRK1 1048/4885PTGDR2 419/4885PTGDR 267/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 OPRK1 928/4885PTGDR2 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.