Sugi Predict

Sugi Predict / Compounds / SCHEMBL352377

SCHEMBL352377

SCHEMBL352377

O=C(O)[C@@H]1CCCN1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ ACE P12821 6/20 0.42
▸ CYP2C19 P33261 2/20 0.41
▸ REN P00797 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PEPD P12955 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HRH1 P35367 1/20 0.40

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
SCHEMBL352376 1.00 GRM2 (0.44) GRM2CNR1CNR2HSD11B1CYP1A2
SCHEMBL19815410 1.00 GRM2 (0.44) GRM2CNR1CNR2HSD11B1CYP1A2
SCHEMBL16239057 0.94 GRM2 (0.46) GRM2CNR1CNR2HSD11B1CYP1A2
SCHEMBL3712881 0.94 GRM2 (0.46) GRM2CNR1CNR2HSD11B1CYP1A2
SCHEMBL9108702 0.92 GRM2 (0.53) GRM2CNR1CNR2HSD11B1CYP1A2
SCHEMBL9108708 0.92 GRM2 (0.53) GRM2CNR1CNR2HSD11B1CYP1A2
SCHEMBL2569370 0.88 HSD11B1 (0.58) GRM2CNR1CNR2HSD11B1CYP1A2
SCHEMBL2569369 0.88 HSD11B1 (0.58) GRM2CNR1CNR2HSD11B1CYP1A2
SCHEMBL3710751 0.83 HSD11B1 (0.53) GRM2CNR1CNR2HSD11B1KDM4E
SCHEMBL3710748 0.83 HSD11B1 (0.53) GRM2CNR1CNR2HSD11B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018178397-A1 N-ALKYLATED AMINO ACIDS AND OLIGOPEPTIDES, USES THEREOF AND METHODS FOR PROVIDING THEM. RIJKSUNIVERSITEIT GRONINGEN (NL) 2018-10-04 — — WO disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 — — US disclosed
US-8618152-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-31 — — US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 — — US disclosed
EP-1636208-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2012-02-29 — — EP disclosed
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 — — US disclosed
EP-2332935-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-15 — — EP disclosed
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 — — US disclosed
EP-1636208-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE Vertex Pharmaceuticals Incorporated (US) 2006-03-22 — — EP disclosed
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS, INCORPORATED 2005-04-28 — — US disclosed
WO-2004092162-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2004-10-28 — — WO disclosed
US-5468876-A Intermediates for the stereoconservative synthesis of 1-substituted (S)-and (R)-2-aminomethylpyrrolidines AKTIEBOLAGET ASTRA (SE) 1995-11-21 — — US disclosed
US-5300660-A Efficient stereoconservative synthesis of 1-substituted (S)- and (R)-2-aminomethylpyrrolidines and intermediates thereto ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1994-04-05 — — US disclosed
EP-0253785-B1 EFFICIENT STEREOCONSERVATIVE SYNTHESES OF 1-SUBSTITUTED (S)- AND (R)-2-AMINOMETHYLPYRROLIDINES AND INTERMEDIATES THEREIN ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1992-11-11 — — EP disclosed
EP-0270596-A1 A STEREOCONSERVATIVE SYNTHESIS OF 1-SUBSTITUTED (S)- AND (R)-2-AMINOMETHYLPYRROLIDINES AND INTERMEDIATES THERETO ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1988-06-15 — — EP disclosed
EP-0253785-A1 Efficient stereoconservative syntheses of 1-substituted (S)- and (R)-2-aminomethylpyrrolidines and intermediates therein ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1988-01-20 — — EP disclosed
WO-1987007271-A1 A STEREOCONSERVATIVE SYNTHESIS OF 1-SUBSTITUTED (S)- AND (R)-2-AMINOMETHYLPYRROLIDINES AND INTERMEDIATES THERETO Astra Läkemedel Aktiebolag (SE) 1987-12-03 — — WO 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 (4 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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 GRM2 4875/4885CNR1 3257/4885CNR2 4291/4885
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 GRM2 4876/4885CNR1 3178/4885CNR2 4256/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 GRM2 392/4885CNR1 2/4885CNR2 1/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 GRM2 4876/4885CNR1 3073/4885CNR2 4204/4885

“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.