SCHEMBL2980458

SCHEMBL2980458

CCCCC1CC(OCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.57
BDKRB2 P30411 2/20 0.45
MC4R P32245 4/20 0.42
MC3R P41968 4/20 0.42
MC1R Q01726 4/20 0.42
KLK7 P49862 5/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
KLK5 Q9Y337 4/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1721741 0.89 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL30421652 0.89 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL7327353 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL28995867 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL14457250 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL30421047 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL475540 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL71548 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL3855580 0.87 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL24739417 0.86 ABCB1 (0.54) ABCB1BDKRB2KLK7JAK2JAK1

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
EP-1950198-B1 PROCESS FOR PRODUCTION OF BENZYLOXYPYRROLIDINE DERIVATIVE, AND PROCESS FOR PRODUCTION OF HYDROCHLORIDE SALT POWDER OF OPTICALLY ACTIVE BENZYLOXYPYRROLIDINE DERIVATIVE TORAY FINECHEMICALS CO LTD (JP) 2014-08-06 EP disclosed
US-7772406-B2 Process for production of benzyloxypyrrolidine derivative, and process for production of hydrochloride salt powder of optically active benzyloxypyrrolidine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2010-08-10 US disclosed
US-20090093643-A1 Process for Production of Benzyloxypyrrolidine Derivative, and Process for Production of Hydrochloride Salt Powder of Optically Active Benzyloxypyrrolidine Derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-04-09 US disclosed
EP-1950198-A1 PROCESS FOR PRODUCTION OF BENZYLOXYPYRROLIDINE DERIVATIVE, AND PROCESS FOR PRODUCTION OF HYDROCHLORIDE SALT POWDER OF OPTICALLY ACTIVE BENZYLOXYPYRROLIDINE DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2008-07-30 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 (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-20090093643-A1 Process for Production of Benzyloxypyrrolidine Derivative, and Process for Production of Hydrochloride Salt Powder of Optically Active Benzyloxypyrrolidine Derivative HPD, PAH, DHPS ABCB1 1026/4885BDKRB2 2432/4885MC4R 2686/4885

“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.