SCHEMBL967080

SCHEMBL967080

Cc1nn(C)c(-n2ccc3ccccc32)c1/C=C/C(=O)NS(=O)(=O)NCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.39
RBP4 P02753 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
PHGDH O43175 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32

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
SCHEMBL967081 1.00 NPY5R (0.39) NPY5RRBP4SMN1; SMN2NPC1ALDH1A1
SCHEMBL964073 0.90 NPY5R (0.33) NPY5RSMN1; SMN2ALDH1A1HDAC1HDAC3
SCHEMBL964071 0.90 NPY5R (0.33) NPY5RSMN1; SMN2ALDH1A1HDAC1HDAC3
SCHEMBL964119 0.88 NPY5R (0.41) NPY5RSMN1; SMN2TSHRTP53
SCHEMBL965347 0.88 NPY5R (0.41) NPY5RSMN1; SMN2TSHR
SCHEMBL965345 0.88 NPY5R (0.41) NPY5RSMN1; SMN2TSHR
SCHEMBL962509 0.88 NPY5R (0.41) NPY5RNPC1HDAC1HDAC3HDAC4
SCHEMBL962508 0.88 NPY5R (0.41) NPY5RNPC1HDAC1HDAC3HDAC4
SCHEMBL964118 0.88 NPY5R (0.41) NPY5RSMN1; SMN2TSHRTP53
SCHEMBL962093 0.87 HDAC3 (0.36) NPY5RALDH1A1MTNR1AHDAC1HDAC3

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 2 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
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 1067/4885RBP4 1884/4885SMN1; SMN2 3745/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG NPY5R 764/4885RBP4 360/4885SMN1; SMN2 4710/4885

“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.