SCHEMBL3493472

SCHEMBL3493472

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1c(C#N)cccc1O2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.43
KLK7 P49862 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACACB O00763 6/20 0.43
IDO1 P14902 1/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL3493475 1.00 GPR119 (0.47) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL471550 0.86 KMT2A (0.46) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL16496996 0.85 IDO1 (0.46) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3814131 0.85 IDO1 (0.46) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL13636573 0.85 GPR119 (0.45) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1589943 0.85 SCD (0.45) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3814137 0.85 IDO1 (0.46) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL12265488 0.85 KDM4E (0.45) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL29624718 0.85 IDO1 (0.46) GPR119KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1589942 0.85 SCD (0.45) GPR119KDM4EALDH1A1LMNASMN1; SMN2

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-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B GPR119 25/4885KDM4E 1143/4885ALDH1A1 503/4885

“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.