SCHEMBL1713161

SCHEMBL1713161

Cc1nc(OCCCC2CCN(c3noc(C(C)C)n3)CC2)ccc1C(=O)NCCO

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.35
GPR119 Q8TDV5 4/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ACACB O00763 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC2A1 P11166 1/20 0.32
CASR P41180 1/20 0.32
CYP11B2 P19099 1/20 0.31
S1PR1 P21453 1/20 0.31
ACACA Q13085 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL1714006 0.90 GABRA5 (0.33) GABRA5GPR119KDM4EALDH1A1HPGD
SCHEMBL1713118 0.90 GABRA5 (0.33) GABRA5GPR119KDM4EALDH1A1HPGD
SCHEMBL1713311 0.90 CNR2 (0.36) GABRA5GPR119DRD2DRD3ACACB
SCHEMBL1713266 0.89 AXL (0.37) GPR119ACACB
SCHEMBL1713292 0.88 GPR119 (0.35) GABRA5GPR119ACACBNPC1RAB9A
SCHEMBL1713024 0.87 NNMT (0.38) GPR119ACACBNPC1RAB9AFFAR4
SCHEMBL2371250 0.87 GPR119 (0.42) GPR119ACACBNPC1RAB9AACACA
SCHEMBL1713423 0.86 GPR119 (0.46) GABRA5GPR119DRD2DRD3
SCHEMBL2477317 0.85 GPR119 (0.37) GPR119KDM4EALDH1A1HPGDACACB
SCHEMBL2371029 0.84 GPR119 (0.51) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114935-B1 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2011-07-20 EP claimed
US-20100105732-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-04-29 US claimed
US-20130109703-A1 Combination of a GPR119 Agonist and the DPP-IV Inhibitor Linagliptin for Use in the Treatment of Diabetes and Related Conditions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109703-A1 Combination of a GPR119 Agonist and the DPP-IV Inhibitor Linagliptin for Use in the Treatment of Diabetes and Related Conditions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2114935-B1 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2011-07-20 EP disclosed
US-20100105732-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-04-29 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 (2 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-20100105732-A1 PIPERIDINE GPCR AGONISTS GPR119, GPR27, GLP1R GABRA5 201/4885GPR119 1/4885KDM4E 3068/4885
US-20130109703-A1 Combination of a GPR119 Agonist and the DPP-IV Inhibitor Linagliptin for Use in the Treatment of Diabetes and Related Conditions GPR119, DPP4, GLP1R GABRA5 786/4885GPR119 1/4885KDM4E 1709/4885

“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.