SCHEMBL1425944

SCHEMBL1425944

CC(C)(C)OC(=O)N1C[C@@H](CC(=O)O)[C@@H](CC(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
PDE4B Q07343 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL2982317 1.00 NR1H2 (0.53) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL21845511 0.95 NR1H2 (0.49) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL13940144 0.92 NR1H2 (0.49) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL12539048 0.92 NR1H2 (0.49) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL894282 0.86 NR1H2 (0.57) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL14303506 0.83 NR1H2 (0.57) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL17274163 0.83 NR1H2 (0.50) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL22712718 0.83 NR1H2 (0.50) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL19024156 0.83 NR1H2 (0.50) NR1H2USP2SMN1; SMN2NAMPTHPGD
SCHEMBL19024158 0.83 NR1H2 (0.50) NR1H2USP2SMN1; SMN2NAMPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112679411-B Preparation method of chiral 5- (methylamino) hexahydrocyclopenta [ c ] pyrrole-2 (1H) -Boc methanesulfonate 上海再启生物技术有限公司 2022-04-01 CN claimed
CN-112679411-A Preparation method of chiral 5- (methylamino) hexahydrocyclopenta [ c ] pyrrole-2 (1H) -Boc methanesulfonate 上海再启生物技术有限公司 2021-04-20 CN claimed
CN-112679411-B Preparation method of chiral 5- (methylamino) hexahydrocyclopenta [ c ] pyrrole-2 (1H) -Boc methanesulfonate 上海再启生物技术有限公司 2022-04-01 CN disclosed
CN-112679411-A Preparation method of chiral 5- (methylamino) hexahydrocyclopenta [ c ] pyrrole-2 (1H) -Boc methanesulfonate 上海再启生物技术有限公司 2021-04-20 CN disclosed
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-29 US disclosed
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-24 US disclosed
US-20180298012-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-10-18 US disclosed
US-20180237391-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-23 US disclosed
EP-2968303-B1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2018-07-04 EP disclosed
US-9944644-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-17 US disclosed
US-9926271-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-03-27 US disclosed
US-8481524-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
EP-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP disclosed
EP-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 US disclosed
WO-2009045992-A2 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 WO disclosed
US-20060287290-A1 Azabicyclic compounds are central nervous system active agents DART MICHAEL J 2006-12-21 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 (7 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-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 NR1H2 2477/4885USP2 2356/4885SMN1; SMN2 3535/4885
US-20180237391-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S NR1H2 87/4885USP2 3823/4885SMN1; SMN2 1454/4885
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 NR1H2 583/4885USP2 3288/4885SMN1; SMN2 228/4885
US-20180298012-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS NR1H2 2078/4885USP2 3927/4885SMN1; SMN2 2790/4885
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use CLN6, ALDH1A2, C1S NR1H2 87/4885USP2 3823/4885SMN1; SMN2 1454/4885
US-20060287290-A1 Azabicyclic compounds are central nervous system active agents ACHE, CHAT, CHRNA6 NR1H2 570/4885USP2 3564/4885SMN1; SMN2 191/4885
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS NR1H2 2078/4885USP2 3927/4885SMN1; SMN2 2790/4885

“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.