SCHEMBL8244696

SCHEMBL8244696

CC(C)Cc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
HTR2C P28335 1/20 0.43
CYP3A4 P08684 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
IDO1 P14902 2/20 0.37
SCN9A Q15858 1/20 0.36
TACR1 P25103 2/20 0.35
ALDH1A1 P00352 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL5018772 0.88 HTR2A (0.48) HTR2AHTR2BHTR2CSIGMAR1LMNA
SCHEMBL25468603 0.85 HMGCR (0.42) HTR2AHTR2BHTR2C
SCHEMBL21654184 0.81 HTR2A (0.38) HTR2AHTR2BHTR2CCYP3A4SIGMAR1
SCHEMBL2623872 0.81 IDO1 (0.41) HTR2ALMNAMAPTIDO1
SCHEMBL18719954 0.81 HTR2A (0.43) HTR2AHTR2BHTR2CSIGMAR1LMNA
SCHEMBL22861021 0.81 HTR2A (0.43) HTR2AHTR2BHTR2CCYP3A4SIGMAR1
SCHEMBL13400797 0.81 HTR2A (0.43) HTR2AHTR2BHTR2CCYP3A4SIGMAR1
SCHEMBL16960837 0.79 HTR2A (0.42) HTR2AHTR2BHTR2CCYP3A4SIGMAR1
SCHEMBL6814904 0.79 HTR2A (0.46) HTR2AHTR2BHTR2CSIGMAR1LMNA
SCHEMBL16955182 0.79 HTR2A (0.42) HTR2AHTR2BHTR2CSIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20230140290-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING THE BOARD OF REGENTS OF THE UNIV OF TEXAS SY (US) 2023-05-04 US disclosed
US-20230140290-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING THE BOARD OF REGENTS OF THE UNIV OF TEXAS SY (US) 2023-05-04 US disclosed
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-01-19 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
EP-3704118-B1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 EP disclosed
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-09-14 US disclosed
WO-2021151104-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-07-29 WO disclosed
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-03-11 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 WO disclosed
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 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 (10 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 HTR2A 1316/4885HTR2B 1129/4885HTR2C 1522/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HTR2A 4229/4885HTR2B 4001/4885HTR2C 4499/4885
US-20230140290-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING EIF2AK2, SARS1, ACE HTR2A 1125/4885HTR2B 2869/4885HTR2C 1872/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 HTR2A 2874/4885HTR2B 2462/4885HTR2C 4409/4885
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 HTR2A 512/4885HTR2B 398/4885HTR2C 509/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HTR2A 4229/4885HTR2B 4001/4885HTR2C 4499/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 HTR2A 1246/4885HTR2B 630/4885HTR2C 773/4885
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 HTR2A 4435/4885HTR2B 4227/4885HTR2C 4070/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 HTR2A 4435/4885HTR2B 4227/4885HTR2C 4070/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 HTR2A 4435/4885HTR2B 4227/4885HTR2C 4070/4885

“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.