SCHEMBL10105643

SCHEMBL10105643

CC(C)c1ccc(F)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.39
TRPV4 Q9HBA0 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
RECQL P46063 1/20 0.33
ALK Q9UM73 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 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
SCHEMBL27660796 0.85 MAOA (0.33) ARTRPV4MAOAMAOBCYP11B1
SCHEMBL12041233 0.84 TRPV4 (0.42) ARTRPV4MAOAMAOBSLC22A12
SCHEMBL10192295 0.82 AR (0.33) ARTRPV4MAOAMAOBCYP11B1
SCHEMBL22693264 0.82 NPC1 (0.37) ARMAOAMAOBCYP11B1CYP11B2
SCHEMBL21630187 0.82 FFAR1 (0.40) ARTRPV4MAOAMAOBSLC22A12
SCHEMBL19827022 0.80 AR (0.38) ARTRPV4MAOAMAOBSLC22A12
SCHEMBL24869131 0.80 RECQL (0.33) MAOAMAOBRECQLTRPA1LMNA
SCHEMBL16959709 0.80 RECQL (0.33) RECQLTRPA1LMNACHRM1SLC6A2
SCHEMBL11353819 0.80 TRPV4 (0.34) ARTRPV4MAOAMAOBSLC22A12
SCHEMBL26458011 0.78 CYP11B1 (0.36) ARMAOAMAOBCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
WO-2023196605-A1 INHIBITING HISTONE DEACETYLASE 6 (HDAC6) EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
WO-2023196601-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-25 US disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT DIGMBIO. INC. (KR) 2023-01-26 US disclosed
WO-2023287793-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-01-19 WO disclosed
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2011-12-29 US disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP 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 (9 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 AR 1472/4885TRPV4 4744/4885MAOA 449/4885
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS STAT5A, STAT5B, STAT3 AR 2059/4885TRPV4 4505/4885MAOA 4456/4885
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 AR 515/4885TRPV4 4398/4885MAOA 712/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 AR 82/4885TRPV4 505/4885MAOA 2397/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R AR 457/4885TRPV4 507/4885MAOA 1939/4885
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT PARP1, PARP2, PARP11 AR 1979/4885TRPV4 4054/4885MAOA 764/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 AR 3101/4885TRPV4 4030/4885MAOA 3578/4885
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R AR 541/4885TRPV4 629/4885MAOA 1681/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 AR 3101/4885TRPV4 4030/4885MAOA 3578/4885

“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.