SCHEMBL9936637

SCHEMBL9936637

O=C(N1CCCCC1c1ccc2cccc-2o1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.38
SCD5 Q86SK9 4/20 0.36
SCD O00767 1/20 0.36
GRM5 P41594 7/20 0.36
PRCP P42785 1/20 0.35
SRC P12931 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL9936017 0.78 NR1H2 (0.38) SCD5SCDGRM5SRCNPC1
SCHEMBL27564986 0.75 RIPK1 (0.62) RIPK1SCD5SCDHSP90AA1
SCHEMBL28171621 0.72 RIPK1 (0.67) RIPK1SCD5SCDHSP90AA1
SCHEMBL1576663 0.68 RIPK1 (0.73) RIPK1SCD5SCDHSP90AA1
SCHEMBL4046232 0.67 RIPK1 (0.51) RIPK1HPGD
SCHEMBL4046089 0.66 RIPK1 (0.50) RIPK1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL33532001 0.65 RIPK1 (0.58) RIPK1SCD5SCDHSP90AA1
SCHEMBL30878611 0.65 RIPK1 (0.55) RIPK1SCD5HSP90AA1
SCHEMBL23064471 0.64 PPID (0.48) RIPK1SCD5HSP90AA1
SCHEMBL28537451 0.64 PPID (0.48) RIPK1SCD5HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665719-B1 FUSED DIHYDROFURANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISORDERS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
EP-2651931-B1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2015-08-19 EP disclosed
US-8778926-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
EP-2665719-A1 FUSED DIHYDROFURANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-11-27 EP disclosed
EP-2651931-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP disclosed
US-20130018030-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-17 US disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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 (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-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 RIPK1 4674/4885SCD5 1940/4885SCD 2078/4885
US-20130018030-A1 New compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 RIPK1 4619/4885SCD5 2395/4885SCD 2696/4885

“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.