SCHEMBL17787366

SCHEMBL17787366

CCOC(=O)c1cc(OCC)c(C2CCCC2)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
DRD1 P21728 4/20 0.40
DRD4 P21917 4/20 0.40
DRD5 P21918 4/20 0.40
DRD3 P35462 4/20 0.40
ALOX15 P16050 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL16616336 0.98 DRD2 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16055031 0.84 CA12 (0.46) ALOX15NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16624215 0.79 ALOX15 (0.44) ALOX15NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16624220 0.77 MAPT (0.37) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL16056780 0.76 MRGPRX4 (0.47) ALOX15NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16624217 0.76 ALOX15 (0.41) ALOX15NPC1SMN1; SMN2MAPTLMNA
SCHEMBL17535969 0.75 GLA (0.47) SMN1; SMN2MAPTTSHRLMNAGAA
SCHEMBL3552508 0.75 NPC1 (0.39) ALOX15NPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL16056187 0.75 PLAT (0.44) MAPTLMNACA12CA1CA2
SCHEMBL16056333 0.75 FDFT1 (0.38) MAPTLMNAGAACA12CA1

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 DRD2 1287/4885DRD1 1948/4885DRD4 1386/4885

“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.