SCHEMBL2790690

SCHEMBL2790690

O=C(O)[C@@H]1CCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.60
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KCNQ2 O43526 1/20 0.48
CYP11B2 P19099 1/20 0.46
HTT P42858 1/20 0.45
IDO1 P14902 1/20 0.44
PDPK1 O15530 1/20 0.44
ACP3 P15309 1/20 0.44

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
SCHEMBL12431131 1.00 PIN1 (0.60) PIN1TSHRNPSR1KCNQ2CYP11B2
SCHEMBL1400973 1.00 PIN1 (0.60) PIN1TSHRNPSR1KCNQ2CYP11B2
SCHEMBL907688 1.00 PIN1 (0.60) PIN1TSHRNPSR1KCNQ2CYP11B2
Hydrochloric Acid SCHEMBL7213722 0.98 PIN1 (0.58) PIN1TSHRNPSR1KCNQ2CYP11B2
SCHEMBL11215754 0.98 PIN1 (0.58) PIN1TSHRNPSR1KCNQ2CYP11B2
SCHEMBL2792830 0.89 HTT (0.54) PIN1TSHRNPSR1HTT
SCHEMBL2796237 0.89 HTT (0.54) PIN1TSHRNPSR1HTT
SCHEMBL29608780 0.89 HTT (0.54) PIN1TSHRNPSR1HTT
SCHEMBL29706163 0.89 HTT (0.54) PIN1TSHRNPSR1HTT
SCHEMBL242244 0.89 HTT (0.54) PIN1TSHRNPSR1HTT

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
US-20230174492-A1 SUBSTITUTED CONDENSED AZINES AS ANTHELMINTIC COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2023-06-08 US disclosed
US-20230174492-A1 SUBSTITUTED CONDENSED AZINES AS ANTHELMINTIC COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2023-06-08 US disclosed
US-20230174492-A1 SUBSTITUTED CONDENSED AZINES AS ANTHELMINTIC COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2023-06-08 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US disclosed
CN-101296904-A Amide derivatives as kinase inhibitors DEVGEN NV (BE) 2008-10-29 CN disclosed
EP-1907361-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS Devgen N.V. (BE) 2008-04-09 EP disclosed
US-20070105916-A1 Amphiphilic pyridinium compounds, method of making and use thereof THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. 2007-05-10 US disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 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 (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-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 PIN1 1717/4885TSHR 1684/4885NPSR1 886/4885
US-20070105916-A1 Amphiphilic pyridinium compounds, method of making and use thereof CXCL8, IL18, CCR8 PIN1 472/4885TSHR 3290/4885NPSR1 2474/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 PIN1 1717/4885TSHR 1684/4885NPSR1 886/4885
US-20230174492-A1 SUBSTITUTED CONDENSED AZINES AS ANTHELMINTIC COMPOUNDS H1-5, H1-10, H1-0 PIN1 3838/4885TSHR 1894/4885NPSR1 2710/4885

“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.