SCHEMBL1745281

SCHEMBL1745281

COC(=O)CCc1ccc(OCc2cc3ccccc3n2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
VDR P11473 2/20 0.48
PPARD Q03181 1/20 0.46
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
PPARG P37231 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL1745372 0.88 FFAR1 (0.58) FFAR1FFAR4AKR1B1
SCHEMBL9105728 0.83 NPC1 (0.53) PTPN1NPC1RAB9A
SCHEMBL1746499 0.79 RAB9A (0.55) RAB9AVDRFFAR1FFAR4AKR1B1
SCHEMBL1745247 0.76 FFAR1 (0.72) NPC1RAB9AFFAR1FFAR4AKR1B1
SCHEMBL1747136 0.76 FFAR1 (0.72) NPC1RAB9AFFAR1FFAR4AKR1B1
SCHEMBL2822600 0.76 FFAR1 (0.48) VDRPPARDFFAR1FFAR4AKR1B1
SCHEMBL2824806 0.76 FFAR1 (0.46) VDRPPARDFFAR1FFAR4AKR1B1
SCHEMBL6380266 0.75 PPARG (0.54) PTPN1NPC1RAB9AFFAR1PPARG
SCHEMBL7948992 0.75 TSHR (0.46) NPC1RAB9A
SCHEMBL9868496 0.75 NPC1 (0.55) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR PTPN1 1326/4885NPC1 1470/4885RAB9A 2029/4885

“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.