Sugi Predict

Sugi Predict / Compounds / SCHEMBL389961

SCHEMBL389961

SCHEMBL389961

COCNC(=O)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.51
▸ PTPN2 P17706 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ PTPN6 P29350 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ STS P08842 7/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK8 P45983 1/20 0.44

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
SCHEMBL1155860 1.00 HPGD (0.51) HPGDPTPN2PTPN1PTPN6KMT2A
SCHEMBL1156346 1.00 HPGD (0.51) HPGDPTPN2PTPN1PTPN6KMT2A
SCHEMBL413795 0.93 HPGD (0.55) HPGDPTPN2PTPN1PTPN6KMT2A
SCHEMBL442931 0.92 MEN1 (0.57) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL15049749 0.92 MEN1 (0.57) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL1309545 0.89 NR1H2 (0.47) HPGDPTPN2PTPN1PTPN6KMT2A
SCHEMBL3730648 0.88 HPGD (0.50) HPGDPTPN2PTPN1PTPN6KMT2A
SCHEMBL30229947 0.87 MAPT (0.51) HPGDPTPN2PTPN1PTPN6KMT2A
SCHEMBL17913837 0.84 TACR1 (0.44) HPGDPTPN2PTPN1PTPN6KMT2A
SCHEMBL14683847 0.84 HPGD (0.51) HPGDPTPN2PTPN1PTPN6KMT2A

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117103-A The synthetic method of medicine intermediate 1-tertbutyloxycarbonyl-3-(methoxymethyl-carbamyl) pyrrolidine 无锡乾浩生物医药有限公司 2016-11-16 — — CN claimed
CN-106117103-A The synthetic method of medicine intermediate 1-tertbutyloxycarbonyl-3-(methoxymethyl-carbamyl) pyrrolidine 无锡乾浩生物医药有限公司 2016-11-16 — — CN disclosed
CN-106117103-A The synthetic method of medicine intermediate 1-tertbutyloxycarbonyl-3-(methoxymethyl-carbamyl) pyrrolidine 无锡乾浩生物医药有限公司 2016-11-16 — — CN disclosed
CN-106117103-A The synthetic method of medicine intermediate 1-tertbutyloxycarbonyl-3-(methoxymethyl-carbamyl) pyrrolidine 无锡乾浩生物医药有限公司 2016-11-16 — — CN disclosed
EP-2684871-B1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives HOFFMANN LA ROCHE (CH) 2016-05-04 — — EP disclosed
US-8933249-B2 3-(phenoxyphenylmethyl)pyrrolidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-01-13 — — US disclosed
EP-2684871-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2014-01-15 — — EP disclosed
EP-2318362-B1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE INC (US) 2013-09-25 — — EP disclosed
US-8513425-B2 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-08-20 — — US disclosed
US-20130178509-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2013-07-11 — — US disclosed
WO-2010011811-A2 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2010-01-28 — — WO disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 — — US disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 — — US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 — — US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 — — EP disclosed
EP-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 — — EP disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 — — US disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 — — WO disclosed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 — — 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 (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-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR HPGD 1370/4885PTPN2 3295/4885PTPN1 3405/4885
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HPGD 3644/4885PTPN2 1160/4885PTPN1 1082/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C HPGD 755/4885PTPN2 3253/4885PTPN1 3357/4885
US-20130178509-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS HTR6, SLC6A2, SLC6A4 HPGD 1213/4885PTPN2 1717/4885PTPN1 1216/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HPGD 3762/4885PTPN2 1120/4885PTPN1 1014/4885

“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.