SCHEMBL3491817

SCHEMBL3491817

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(C#N)ccc1S2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.44
ALK Q9UM73 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
NOTCH1 P46531 1/20 0.39
GPR183 P32249 1/20 0.37
CETP P11597 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3491818 1.00 GPR119 (0.44) GPR119ALKJAK2JAK1EGLN2
Water SCHEMBL3492980 0.86 GPR119 (0.41) GPR119JAK2JAK1
SCHEMBL3494968 0.85 GPR119 (0.41) GPR119
SCHEMBL3494969 0.85 GPR119 (0.41) GPR119
SCHEMBL3492205 0.84 GPR119 (0.40) GPR119ALK
SCHEMBL3493583 0.84 HDAC2 (0.41) GPR119
SCHEMBL3493115 0.84 MEN1 (0.44) HSD17B10
SCHEMBL3493586 0.84 HDAC2 (0.41) GPR119
SCHEMBL3492209 0.84 GPR119 (0.40) GPR119ALK
SCHEMBL3493112 0.84 MEN1 (0.44) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2014-06-26 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
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
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 (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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B GPR119 25/4885ALK 825/4885JAK2 538/4885
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS UTS2R, VDR, PTGDR GPR119 49/4885ALK 2349/4885JAK2 1787/4885

“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.