SCHEMBL15053689

SCHEMBL15053689

CNc1ccccc1OCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.53
APP P05067 1/20 0.49
MRGPRX1 Q96LB2 1/20 0.47
HTR2C P28335 3/20 0.44
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
MAPT P10636 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
FAAH O00519 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 2/20 0.38
ALOX12 P18054 2/20 0.38
THRB P10828 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
Hydrochloric Acid SCHEMBL28718671 0.98 RIPK1 (0.51) RIPK1APPMRGPRX1HTR2CPDE4A
SCHEMBL28333027 0.93 RIPK1 (0.46) RIPK1APPMRGPRX1HTR2CFAAH
SCHEMBL28333102 0.92 FAAH (0.48) RIPK1APPMRGPRX1HTR2CFAAH
SCHEMBL28333007 0.81 HTR2A (0.48) RIPK1HTR2CPDE4APDE4BPDE4C
SCHEMBL22470688 0.80 HTR2A (0.50) RIPK1MRGPRX1HTR2CPDE4APDE4B
SCHEMBL14798300 0.79 MRGPRX1 (0.57) RIPK1MRGPRX1PDE4APDE4BPDE4C
SCHEMBL15053606 0.77 MRGPRX1 (0.58) RIPK1MRGPRX1PDE4APDE4BPDE4C
SCHEMBL28151936 0.77 CHRNB4 (0.44) RIPK1
SCHEMBL22957615 0.76 RIPK1 (0.62) RIPK1HTR2CCARM1PRMT6ALDH1A1
SCHEMBL13105738 0.76 RIPK1 (0.40) RIPK1HTR2CPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566103-B Aminoimidazopyrazines as kinase inhibitors 百时美施贵宝公司 2023-06-23 CN disclosed
CN-113508109-B Substituted heterocyclic amide compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2023-02-10 CN disclosed
CN-110520423-B Aminotriazolopyridines as kinase inhibitors 百时美施贵宝公司 2022-08-23 CN disclosed
CN-113508109-A Substituted heterocyclic amide compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2021-10-15 CN disclosed
CN-111566103-A Aminoimidazopyrazines as kinase inhibitors 百时美施贵宝公司 2020-08-21 CN disclosed
CN-110520423-A AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO 2019-11-29 CN disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 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 (1 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR RIPK1 2195/4885APP 2129/4885MRGPRX1 33/4885

“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.