SCHEMBL2669965

SCHEMBL2669965

CCc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.51
PDE2A O00408 3/20 0.49
MRGPRX4 Q96LA9 4/20 0.46
HTR2A P28223 3/20 0.42
SLC6A4 P31645 3/20 0.42
KCNH2 Q12809 3/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
P2RX7 Q99572 1/20 0.40
LMNA P02545 1/20 0.40
GABRB3 P28472 3/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL24987667 0.86 EPHX2 (0.42) DAOPDE2AMRGPRX4EPHX2NR1H4
SCHEMBL12603777 0.85 KIF11 (0.50) DAOEPHX2NR1H4
SCHEMBL10050765 0.84 SLC6A4 (0.46) PDE2AMRGPRX4HTR2ASLC6A4KCNH2
SCHEMBL3211500 0.82 DAO (0.49) DAOPDE2AMRGPRX4HTR2ASLC6A4
SCHEMBL10235441 0.82 CYP2C19 (0.47) EPHX2NR1H4
SCHEMBL15133743 0.81 ESR1 (0.44) DAOPDE2AHTR2ASLC6A4KCNH2
SCHEMBL16997378 0.81 PDE2A (0.46) DAOPDE2AMRGPRX4HTR2ASLC6A4
SCHEMBL20181909 0.80 DAO (0.43) DAOPDE2AMRGPRX4HTR2ASLC6A4
SCHEMBL3765975 0.80 DAO (0.48) DAOPDE2AMRGPRX4HTR2ASLC6A4
SCHEMBL963581 0.80 DAO (0.48) DAOPDE2AMRGPRX4HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220223-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 WO disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
EP-3702355-B1 SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE, THE PREPARATION AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2022-01-12 EP disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
WO-2021102314-A1 TRPV4 RECEPTOR LIGANDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-05-27 WO disclosed
WO-2021083185-A1 PYRIMIDINE-CONTAINING PIPERIDINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-05-06 WO disclosed
EP-2913325-B1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2021-04-21 EP disclosed
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-04-20 US disclosed
EP-3760617-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-01-06 EP disclosed
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 US disclosed
US-7879862-B2 Central nervous system disorders; psychological disorders; anxiolytic agents; irritable bowel syndrome; antidepressants SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2011-02-01 US disclosed
WO-2010098948-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAININ SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-09-02 WO disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-08-14 US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 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 (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-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF HTR2C, HTR3B, HTR1A DAO 1010/4885PDE2A 528/4885MRGPRX4 78/4885
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 DAO 2546/4885PDE2A 704/4885MRGPRX4 298/4885
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R DAO 2280/4885PDE2A 1206/4885MRGPRX4 76/4885
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 DAO 996/4885PDE2A 1501/4885MRGPRX4 1183/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R DAO 2280/4885PDE2A 1206/4885MRGPRX4 76/4885
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R DAO 1143/4885PDE2A 654/4885MRGPRX4 107/4885
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors PTGES, PTGS1, PTGIS DAO 1800/4885PDE2A 184/4885MRGPRX4 101/4885
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists CRHR1, CRH, CRHR2 DAO 620/4885PDE2A 739/4885MRGPRX4 130/4885
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R DAO 2280/4885PDE2A 1206/4885MRGPRX4 76/4885

“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.