SCHEMBL963201

SCHEMBL963201

Cc1cnc2c(ccn2-c2c(CCC(=O)O)c(C)nn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.37
GLA P06280 1/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 2/20 0.33
EGFR P00533 1/20 0.33
KMO O15229 1/20 0.33
TP53 P04637 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TTR P02766 1/20 0.32
HPGD P15428 1/20 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
SCHEMBL966192 0.85 TSHR (0.31) NPSR1ALDH1A1
SCHEMBL5117304 0.84 ENPP3 (0.33) TTR
SCHEMBL963933 0.83 NPC1 (0.42) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL965044 0.76 ALDH1A1 (0.46) NPC1RAB9AGAANPSR1MAPT
SCHEMBL968306 0.76 OXER1 (0.45) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL965043 0.76 ALDH1A1 (0.46) NPC1RAB9AGAANPSR1MAPT
SCHEMBL967502 0.76 POLB (0.46) RAB9AMEN1KMT2AGAAHSD17B10
SCHEMBL963241 0.76 ALDH1A1 (0.36) KMT2AHSD17B10KDM4EMAPTTP53
SCHEMBL966305 0.75 SPR (0.30) SPR
SCHEMBL966304 0.75 SPR (0.30) SPR

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 NPC1 441/4885RAB9A 2378/4885MEN1 1234/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG NPC1 1538/4885RAB9A 2322/4885MEN1 4766/4885

“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.