SCHEMBL963933

SCHEMBL963933

Cc1nn(C)c(-n2ccc3cccnc32)c1CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.40
MTNR1A P48039 1/20 0.40
GLA P06280 1/20 0.39
SLC22A12 Q96S37 2/20 0.39
LMNA P02545 2/20 0.38
PARP1 P09874 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
EGFR P00533 1/20 0.36
POLB P06746 1/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
PANK1 Q8TE04 1/20 0.36
PANK3 Q9H999 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL963377 0.87 LMNA (0.43) RAB9AMTNR1ASLC22A12LMNAMEN1
SCHEMBL963201 0.83 NPC1 (0.41) NPC1RAB9AGAAGLAMEN1
SCHEMBL5119217 0.83 ENPP3 (0.39) MTNR1ASLC22A12PARP1CDC7CDK2
SCHEMBL964453 0.81 L3MBTL1 (0.38) NPC1RAB9AMTNR1ASLC22A12LMNA
SCHEMBL964053 0.80 PPARG (0.38) MTNR1ASLC22A12MEN1KMT2APPARG
SCHEMBL963043 0.79 BRAF (0.38) MTNR1AKMT2APANK1PANK3TP53
SCHEMBL967854 0.78 ENPP3 (0.35) RAB9AGAAMTNR1AGLASLC22A12
SCHEMBL966046 0.78 TSHR (0.33) MTNR1ASLC22A12TP53
SCHEMBL27793952 0.76 RXFP1 (0.37) MTNR1AMEN1KMT2ARXFP1POLB
SCHEMBL965188 0.76 ALDH1A1 (0.47) NPC1RAB9AGAAMTNR1ASLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 NPC1 441/4885RAB9A 2378/4885GAA 76/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG NPC1 1538/4885RAB9A 2322/4885GAA 1120/4885

“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.