SCHEMBL10140492

SCHEMBL10140492

CC(C)OC(=O)N1CCC(n2ccc(C#N)c2/N=C/N)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.41
PGR P06401 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MGLL Q99685 2/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34

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
SCHEMBL357663 0.86 GPR119 (0.39) GPR119PGRCYP2D6CYP2C9MGLL
SCHEMBL357664 0.86 GPR119 (0.39) GPR119PGRCYP2D6CYP2C9MGLL
SCHEMBL10171868 0.86 KDM1A (0.33) MGLL
SCHEMBL368619 0.84 GPR119 (0.43) GPR119PGRCYP2D6CYP2C9CHRM2
SCHEMBL10139692 0.81 GPR119 (0.35) GPR119PGRCYP2D6CYP2C9CHRM2
SCHEMBL356284 0.79 GPR119 (0.41) GPR119PGRCYP2D6CYP2C9CHRM2
SCHEMBL10171856 0.73 L3MBTL1 (0.34) GPR119PGRCYP2D6CYP2C9MGLL
SCHEMBL10171853 0.69 KDM1A (0.36) GPR119MGLL
SCHEMBL12961781 0.67 GPR119 (0.46) GPR119MGLL
SCHEMBL10171863 0.67 KDM1A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 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 (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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 GPR119 1/4885PGR 339/4885CYP2D6 1551/4885

“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.