SCHEMBL476223

SCHEMBL476223

CC(C)(C)OC(=O)N1[C@@H]([C@@H](O)[C@@H](N)Cc2ccccc2)CCC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.41
▸ YAP1 P46937 3/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ STS P08842 1/20 0.37
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ LTA4H P09960 1/20 0.36

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
SCHEMBL3857701 1.00 PLG (0.41) PLGYAP1MAPK1MAPTNPSR1
SCHEMBL476221 1.00 PLG (0.41) PLGYAP1MAPK1MAPTNPSR1
SCHEMBL3855631 0.84 JAK2 (0.39) PLGYAP1MAPK1MAPTNPSR1
SCHEMBL3855678 0.79 KLK7 (0.47) MAPK1MAPTNPSR1GPR119KMT2A
SCHEMBL11970254 0.79 KLK7 (0.47) MAPK1MAPTNPSR1GPR119KMT2A
SCHEMBL2358238 0.79 GPR119 (0.39) YAP1MAPK1GPR119KMT2ASTS
SCHEMBL3855675 0.79 KLK7 (0.47) MAPK1MAPTNPSR1GPR119KMT2A
SCHEMBL3855672 0.79 KLK7 (0.47) MAPK1MAPTNPSR1GPR119KMT2A
SCHEMBL3859795 0.79 KLK7 (0.47) MAPK1MAPTNPSR1GPR119KMT2A
SCHEMBL2570206 0.79 KLK7 (0.47) MAPK1MAPTNPSR1GPR119KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 — — US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 — — US disclosed
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BILCER GEOFFREY M (US) 2012-11-22 — — US disclosed
US-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2012-08-23 — — US disclosed
EP-2411000-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-02-01 — — EP disclosed
WO-2010110817-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-09-30 — — WO disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 — — US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 — — 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 (5 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-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, GSAP PLG 284/4885YAP1 4181/4885MAPK1 3407/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 PLG 1470/4885YAP1 3752/4885MAPK1 1983/4885
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP PLG 278/4885YAP1 4143/4885MAPK1 3778/4885
US-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP PLG 278/4885YAP1 4143/4885MAPK1 3778/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP PLG 278/4885YAP1 4143/4885MAPK1 3778/4885

“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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