SCHEMBL26452466

SCHEMBL26452466

CCC1CN(CC(=O)OCc2ccccc2)CC1C(=O)Oc1nc(OC)nc(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ GRIN2B Q13224 2/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ CCR5 P51681 1/20 0.33

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
SCHEMBL26452643 1.00 CHRM5 (0.36) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL26452546 1.00 CHRM5 (0.36) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL26452696 0.85 CPB1 (0.45) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL26451281 0.85 PDE4B (0.44) CHRM4CYP2C9CYP2C19PIK3CDGRIN2B
SCHEMBL26451300 0.85 PDE4B (0.44) CHRM4CYP2C9CYP2C19PIK3CDGRIN2B
SCHEMBL26451317 0.85 PDE4B (0.44) CHRM4CYP2C9CYP2C19PIK3CDGRIN2B
SCHEMBL18845641 0.82 ALDH1A1 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL19655862 0.82 ALDH1A1 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL21484546 0.82 ALDH1A1 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL19655812 0.82 ALDH1A1 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4

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-20230139156-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB CURIA SPAIN, S.A.U. (ES) 2023-05-04 — — 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-20230139156-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB CDK19, CDK11B, CDK9 CHRM5 4853/4885CHRM1 4778/4885CHRM3 4834/4885

“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.

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