SCHEMBL15834952

SCHEMBL15834952

Cc1nccc(C(C)C)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.35
RPS6KA3 P51812 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
CYP2A6 P11509 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
EIF4A3 P38919 1/20 0.30
ANPEP P15144 1/20 0.30

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
SCHEMBL2737298 0.81 AAK1 (0.34) HRH4RPS6KA3AAK1TLR9TLR8
SCHEMBL21023372 0.80 TSHR (0.37) HRH4AAK1
SCHEMBL15248196 0.80 RPS6KA3 (0.39) HRH4RPS6KA3ALOX5APFEN1EIF4A3
SCHEMBL26036544 0.78 RPS6KA3 (0.34) HRH4RPS6KA3ALOX5APFEN1EIF4A3
SCHEMBL10222482 0.77 CYP2A6 (0.35) CYP2A6TLR9TLR8TLR7
SCHEMBL17877178 0.77 RPS6KA3 (0.33) HRH4RPS6KA3ALOX5APFEN1ANPEP
SCHEMBL25706405 0.77 RPS6KA3 (0.33) HRH4RPS6KA3ALOX5APFEN1
SCHEMBL18609308 0.77 NOS2 (0.39) HRH4RPS6KA3AAK1ALOX5APFEN1
SCHEMBL22870345 0.76 CYP2A6 (0.34) CYP2A6
SCHEMBL19766655 0.75 TRPA1 (0.33) RPS6KA3ALOX5APFEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20220213107-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
EP-4006034-A1 CONDENSED IMIDAZOLE DERIVATIVES SUBSTITUTED BY TERTIARY HYDROXY GROUPS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2022-06-01 EP disclosed
US-11225486-B2 Tertiary alcohols as PI3K-γ inhibitors INCYTE CORPORATION (US) 2022-01-18 US disclosed
EP-3697789-B1 CONDENSED IMIDAZOLE DERIVATIVES SUBSTITUTED BY TERTIARY HYDROXY GROUPS AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2021-09-29 EP disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 WO disclosed
US-20200385392-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-12-10 US disclosed
US-10738057-B2 Tertiary alcohols as PI3K-γ inhibitors INCYTE CORPORATION (US) 2020-08-11 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9518057-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-13 US disclosed
US-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2016-09-01 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 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 (13 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-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 HRH4 4261/4885RPS6KA3 2247/4885AAK1 2183/4885
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS HRH4 2730/4885RPS6KA3 2498/4885AAK1 4102/4885
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS HRH4 2730/4885RPS6KA3 2498/4885AAK1 4102/4885
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH4 3580/4885RPS6KA3 1558/4885AAK1 2011/4885
US-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 HRH4 560/4885RPS6KA3 1905/4885AAK1 1850/4885
US-10738057-B2 Tertiary alcohols as PI3K-γ inhibitors PIK3R5, PIK3CG, PIK3CD HRH4 4212/4885RPS6KA3 504/4885AAK1 1155/4885
US-20220213107-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS PIK3R5, PIK3R1, PIK3CD HRH4 4342/4885RPS6KA3 440/4885AAK1 938/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 HRH4 560/4885RPS6KA3 1905/4885AAK1 1850/4885
US-20200385392-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS PIK3R5, PIK3R1, PIK3CD HRH4 4342/4885RPS6KA3 440/4885AAK1 938/4885
US-11225486-B2 Tertiary alcohols as PI3K-γ inhibitors PIK3R5, PIK3CG, PIK3CD HRH4 4212/4885RPS6KA3 504/4885AAK1 1155/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS HRH4 2730/4885RPS6KA3 2498/4885AAK1 4102/4885
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 HRH4 1219/4885RPS6KA3 3555/4885AAK1 721/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 HRH4 1219/4885RPS6KA3 3555/4885AAK1 721/4885

“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.