SCHEMBL2768429

SCHEMBL2768429

COC1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.60
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ACE2 Q9BYF1 1/20 0.56
ALDH1A1 P00352 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL11560321 0.96 FKBP1A (0.57) PREPNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL27462940 0.92 SMN1; SMN2 (0.55) PREPNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL27445286 0.92 SMN1; SMN2 (0.55) PREPNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL31551949 0.85 NPSR1 (0.59) PREPNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL30845587 0.85 PREP (0.53) PREPNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL13994810 0.84 PREP (0.57) PREPNPSR1ACE2ALDH1A1TSHR
SCHEMBL9977516 0.84 SMN1; SMN2 (0.53) PREPNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL14404742 0.84 SMN1; SMN2 (0.53) PREPNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL791439 0.84 PREP (0.57) PREPNPSR1ACE2ALDH1A1TSHR
SCHEMBL31323545 0.84 NPSR1 (0.51) PREPNPSR1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960383-B1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-04-28 EP disclosed
EP-1658066-B9 ADAMANTYLGLYCINE- BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1658066-B1 ADAMANTYLGLYCINE- BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES BRISTOL MYERS SQUIBB CO (US) 2009-09-30 EP disclosed
EP-1997489-A1 Adamantylglycine derivatives as inhibitors of dipeptidyl peptidase IV for the treatment of diabetes BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-03 EP disclosed
EP-1960383-A1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
US-7388095-B2 5-substituted indole-2-carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-06-17 US disclosed
WO-2007063000-A1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123525-A1 5-Substituted indole-2-carboxamide derivatives HOFFMANN-LA ROCHE INC. 2007-05-31 US disclosed
US-6995183-B2 Adamantylglycine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-07 US disclosed
US-20050239839-A1 Adamantylglycine-based inhibitors of dipeptidyl peptidase IV and methods HAMANN LAWRENCE G 2005-10-27 US disclosed
US-20050228021-A1 Adamantylglycine-based inhibitors of dipeptidyl peptidase IV and methods HAMANN LAWRENCE G 2005-10-13 US disclosed
US-20050038020-A1 such as (S)-[1-(3-hydroxyadamantan-1-yl)-2-oxo-2-pyrrolidin-1-ylethyl]amine; for treatment of diabetes BRISTOL-MYERS SQUIBB COMPANY 2005-02-17 US disclosed
US-4234484-A FROM ALKOXYLATED CYCLIC AMIDES USING AS A CATALYST A QUATERNARY AMMONIUM OR ALKALI METAL SALT OF TETRAFLUOROBORIC OR HEXAFLUOROPHOSPHORIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-18 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 (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-20050038020-A1 such as (S)-[1-(3-hydroxyadamantan-1-yl)-2-oxo-2-pyrrolidin-1-ylethyl]amine; for treatment of diabetes ADCY2, ADCY1, GLP1R PREP 2366/4885NPSR1 1797/4885SMN1; SMN2 1713/4885
US-20050239839-A1 Adamantylglycine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP3, DPP7 PREP 19/4885NPSR1 1424/4885SMN1; SMN2 1928/4885
US-20070123525-A1 5-Substituted indole-2-carboxamide derivatives HRH4, HRH3, HCAR2 PREP 2861/4885NPSR1 32/4885SMN1; SMN2 3694/4885
US-20050228021-A1 Adamantylglycine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP3, DPP7 PREP 19/4885NPSR1 1424/4885SMN1; SMN2 1928/4885

“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.