SCHEMBL962876

SCHEMBL962876

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1/C=C/C(=O)NS(=O)(=O)NCC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.38
BACE1 P56817 3/20 0.35
MAPT P10636 1/20 0.35
NR2F2 P24468 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
CTSD P07339 1/20 0.34
KCNH2 Q12809 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 2/20 0.31
BRPF1 P55201 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
FPR2 P25090 2/20 0.31
PROKR1 Q8TCW9 2/20 0.31

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
SCHEMBL962879 1.00 NPY5R (0.38) NPY5RBACE1MAPTNR2F2HTT
SCHEMBL965347 0.96 NPY5R (0.41) NPY5RBACE1MAPTNR2F2HTT
SCHEMBL965345 0.96 NPY5R (0.41) NPY5RBACE1MAPTNR2F2HTT
SCHEMBL964118 0.90 NPY5R (0.41) NPY5RBACE1MAPTNR2F2HTT
SCHEMBL964119 0.90 NPY5R (0.41) NPY5RBACE1MAPTNR2F2HTT
SCHEMBL966101 0.88 MAPT (0.36) NPY5RMAPTNR2F2HTTSMN1; SMN2
SCHEMBL966103 0.88 MAPT (0.36) NPY5RMAPTNR2F2HTTSMN1; SMN2
SCHEMBL964073 0.88 NPY5R (0.33) NPY5RMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL964071 0.88 NPY5R (0.33) NPY5RMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL965506 0.87 MAPT (0.39) MAPTNR2F2HTTSMN1; SMN2KMT2A

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 NPY5R 1067/4885BACE1 584/4885MAPT 4343/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG NPY5R 764/4885BACE1 2023/4885MAPT 4720/4885

“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.