SCHEMBL952058

SCHEMBL952058

Cc1ccccc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.50
TACR1 P25103 1/20 0.48
USP30 Q70CQ3 4/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
PDE4B Q07343 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
STS P08842 1/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
HPGDS O60760 1/20 0.42

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
SCHEMBL1751715 1.00 GPR119 (0.50) GPR119TACR1USP30JAK2JAK1
SCHEMBL3806425 1.00 GPR119 (0.50) GPR119TACR1USP30JAK2JAK1
SCHEMBL952059 1.00 GPR119 (0.50) GPR119TACR1USP30JAK2JAK1
SCHEMBL14404380 1.00 GPR119 (0.50) GPR119TACR1USP30JAK2JAK1
SCHEMBL5005899 0.91 GPR119 (0.50) GPR119TACR1USP30JAK2JAK1
SCHEMBL5010481 0.91 GPR119 (0.50) GPR119TACR1USP30JAK2JAK1
SCHEMBL5005902 0.91 GPR119 (0.50) GPR119TACR1USP30JAK2JAK1
SCHEMBL5006446 0.91 GPR119 (0.50) GPR119TACR1USP30JAK2JAK1
SCHEMBL23982326 0.88 TACR1 (0.49) GPR119TACR1USP30JAK2JAK1
SCHEMBL3702527 0.88 PDE4B (0.52) GPR119TACR1USP30JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US disclosed
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US disclosed
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US disclosed
EP-2188266-B1 Novel piperazine amide derivatives HOFFMANN LA ROCHE (CH) 2012-10-17 EP disclosed
US-8288541-B2 Piperazine amide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
EP-2004605-B1 PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-29 EP disclosed
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY GRUNDSCHOBER CHRISTOPHE 2011-05-05 US disclosed
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY GRUNDSCHOBER CHRISTOPHE 2011-05-05 US disclosed
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY GRUNDSCHOBER CHRISTOPHE 2011-05-05 US disclosed
US-7872022-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2011-01-18 US disclosed
US-7872022-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2011-01-18 US disclosed
US-7872022-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2011-01-18 US disclosed
EP-2188266-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-26 EP disclosed
WO-2009021868-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO disclosed
US-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 US disclosed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 US disclosed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 US disclosed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 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 (3 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-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES NR1H2, NR1H3, NR1I2 GPR119 38/4885TACR1 379/4885USP30 2721/4885
US-20110105561-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS FOR THE TREATMENT OF DEPRESSION AND ANXIETY SLC6A4, SLC6A1, SLC1A2 GPR119 328/4885TACR1 71/4885USP30 4090/4885
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety SLC6A4, SLC6A1, SLC1A2 GPR119 328/4885TACR1 71/4885USP30 4090/4885

“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.