SCHEMBL3087656

SCHEMBL3087656

Cc1nn(-c2ccc(C(F)(F)F)cn2)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AGTR1 P30556 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 9/20 0.41
HTT P42858 3/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 3/20 0.41
APAF1 O14727 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 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
SCHEMBL6034667 0.87 SMN1; SMN2 (0.40) NPC1RAB9AMEN1KMT2AAGTR1
SCHEMBL6035221 0.83 CNR1 (0.40) NPC1RAB9AMEN1KMT2AAGTR1
SCHEMBL6036156 0.82 SMN1; SMN2 (0.40) NPC1RAB9AMEN1KMT2AAGTR1
SCHEMBL6036247 0.81 SMN1; SMN2 (0.39) NPC1RAB9AMEN1KMT2AAGTR1
SCHEMBL6036251 0.81 SMN1; SMN2 (0.36) NPC1RAB9AMEN1KMT2AAGTR1
SCHEMBL6036094 0.80 SMN1; SMN2 (0.41) NPC1RAB9AMEN1KMT2AAGTR1
SCHEMBL6035883 0.80 SMN1; SMN2 (0.38) NPC1RAB9AMEN1KMT2AAGTR1
SCHEMBL5001181 0.80 NOTUM (0.52) NPC1RAB9AMEN1KMT2AAGTR1
SCHEMBL6035563 0.79 SMN1; SMN2 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6035785 0.78 GCGR (0.41) NPC1RAB9AMEN1KMT2AAGTR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20060258722-A1 Condensed ring compound TAKEDA PHARMACEUTICAL COMPANY., LTD. (JP) 2006-11-16 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1630152-A1 CONDENSED RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-03-01 EP disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO 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 (4 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 NPC1 3296/4885RAB9A 3991/4885MEN1 2054/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 NPC1 565/4885RAB9A 4381/4885MEN1 2048/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 NPC1 3273/4885RAB9A 4009/4885MEN1 2116/4885
US-20060258722-A1 Condensed ring compound GPR119, GLP1R, GCGR NPC1 2765/4885RAB9A 3930/4885MEN1 2182/4885

“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.