SCHEMBL16943545

SCHEMBL16943545

COC(=O)[C@H]1[C@@H](C2CCC(OC)CC2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.37
HSD17B10 Q99714 1/20 0.33
EPHX1 P07099 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PTPN1 P18031 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16943564 1.00 PREP (0.37) PREPHSD17B10EPHX1NR1H2NR1H3
SCHEMBL16943551 0.88 CHRM2 (0.38) PREPHSD17B10EPHX1NR1H2NR1H3
SCHEMBL16733023 0.88 HSD17B10 (0.39) PREPHSD17B10SMN1; SMN2
SCHEMBL16733081 0.88 HSD17B10 (0.39) PREPHSD17B10SMN1; SMN2
SCHEMBL15185133 0.88 HSD17B10 (0.39) PREPHSD17B10SMN1; SMN2
SCHEMBL16733082 0.88 HSD17B10 (0.39) PREPHSD17B10SMN1; SMN2
SCHEMBL16943556 0.88 CHRM2 (0.38) PREPHSD17B10EPHX1NR1H2NR1H3
SCHEMBL16943563 0.84 NR1H2 (0.34) PREPHSD17B10NR1H2NR1H3PTPN1
SCHEMBL16943559 0.84 NR1H2 (0.34) PREPHSD17B10NR1H2NR1H3PTPN1
SCHEMBL15185095 0.82 CCR5 (0.35) PREPPTPN1SMN1; SMN2NPC1ALDH1A1

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-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 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-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE RB1, F2, SFPQ PREP 811/4885HSD17B10 3097/4885EPHX1 3590/4885

“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.