SCHEMBL16624284

SCHEMBL16624284

COC(=O)c1cc(C(=O)OC)c(C(C)C)nc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.52
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.42
BAK1 Q16611 1/20 0.42
GLRA1 P23415 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLA2G2A P14555 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL16616436 0.83 CNR1 (0.54) CNR1HPGDLMNAALDH1A1MCL1
SCHEMBL16624313 0.81 CNR1 (0.53) CNR1HPGDLMNAALDH1A1TSHR
SCHEMBL16616609 0.81 CNR1 (0.55) CNR1HPGDLMNATSHRMCL1
SCHEMBL16616165 0.79 CNR1 (0.51) CNR1HPGDLMNAALDH1A1MCL1
SCHEMBL28166409 0.79 CNR1 (0.53) CNR1HPGDLMNATSHRMCL1
SCHEMBL16616554 0.79 CNR1 (0.51) CNR1HPGDLMNAMAPK1MCL1
SCHEMBL28848476 0.77 CNR1 (0.49) CNR1HPGDLMNAMCL1BAK1
SCHEMBL15390281 0.74 CNR1 (0.53) CNR1HPGDLMNAALDH1A1MCL1
SCHEMBL16828719 0.74 LMNA (0.49) CNR1HPGDLMNAALDH1A1MAPK1
SCHEMBL24540687 0.72 PDGFRB (0.49) CNR1HPGDLMNA

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 CNR1 150/4885HPGD 1692/4885LMNA 3973/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 CNR1 151/4885HPGD 1595/4885LMNA 3806/4885

“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.