SCHEMBL20942004

SCHEMBL20942004

CCOC(=O)N1C2C=C(N3CCC4(CC3)OC(=O)NC4(C)C)CC1CC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
KCNH2 Q12809 1/20 0.30
CDK8 P49336 1/20 0.30
CDK19 Q9BWU1 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL20942416 0.83 KMT2A (0.36) CXCR3ALDH1A1GAAALOX12SMN1; SMN2
SCHEMBL20942002 0.82 CXCR3 (0.35) CXCR3ALDH1A1GAAALOX12SMN1; SMN2
SCHEMBL20941961 0.82 CXCR3 (0.35) CXCR3ALDH1A1GAAALOX12SMN1; SMN2
SCHEMBL20942592 0.81 CXCR3 (0.32) CXCR3
SCHEMBL20942072 0.80 PTPN11 (0.34) CXCR3ALDH1A1KCNH2CDK8CDK19
SCHEMBL11360845 0.80 CXCR3 (0.40) CXCR3ALDH1A1GAAALOX12SMN1; SMN2
SCHEMBL20941980 0.79 CXCR3 (0.34) CXCR3
SCHEMBL20942077 0.79 CXCR3 (0.34) CXCR3ALDH1A1CHRM4CHRM1CHRM5
SCHEMBL20942456 0.79 KMT2A (0.34) CXCR3ALDH1A1KCNH2CDK8CDK19
SCHEMBL17101418 0.79 CHRM1 (0.41) CHRM4CHRM1KCNH2CHRM5

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-10501483-B2 Enamines and diastereo-selective reduction of enamines ALLERGAN, INC. (US) 2019-12-10 US disclosed
US-20190119304-A1 ENAMINES AND DIASTEREO-SELECTIVE REDUCTION OF ENAMINES ALLERGAN, INC. 2019-04-25 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-10501483-B2 Enamines and diastereo-selective reduction of enamines ENY2, PNMT, CHRM1 CXCR3 721/4885ALDH1A1 3481/4885GAA 3955/4885
US-20190119304-A1 ENAMINES AND DIASTEREO-SELECTIVE REDUCTION OF ENAMINES ENY2, PNMT, CHRM1 CXCR3 721/4885ALDH1A1 3481/4885GAA 3955/4885

“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.