SCHEMBL21787342

SCHEMBL21787342

C[C@H]1CCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.51
OPRD1 P41143 11/20 0.51
OPRK1 P41145 11/20 0.51
OPRL1 P41146 11/20 0.51
KDM4E B2RXH2 1/20 0.47
CYP2D6 P10635 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD1 P21728 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL9792723 1.00 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL13163119 1.00 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL14257980 0.89 KDM4E (0.56) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL13291353 0.89 KDM4E (0.56) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL13955139 0.79 OPRD1 (0.50) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL4153281 0.78 MEN1 (0.53) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL4153276 0.78 MEN1 (0.53) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL5368864 0.76 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL6025516 0.76 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL23764718 0.75 KDM4E (0.48) OPRM1OPRD1OPRK1OPRL1KDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115361999-B 2- [ 2-Methylazetidin-1-yl ] -4-phenyl-6- (trifluoromethyl) -pyrimidine compounds 伊莱利利公司 2024-06-11 CN disclosed
CN-112601525-B 2, 6-diaminopyridine compounds 伊莱利利公司 2023-11-10 CN disclosed
EP-3983404-B1 DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHBITORS LILLY CO ELI (US) 2023-08-09 EP disclosed
US-20230167087-A1 2-[2-METHYLAZETIDIN-1-YL]-4-PHENYL-6-(TRIFLUOROMETHYL)-PYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2023-06-01 US disclosed
US-20230167087-A1 2-[2-METHYLAZETIDIN-1-YL]-4-PHENYL-6-(TRIFLUOROMETHYL)-PYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2023-06-01 US disclosed
US-20230135552-A1 Compounds Useful In Inhibiting Ketohexokinase And Methods Of Making And Using The Same INORBIT THERAPEUTICS AB (SE) 2023-05-04 US disclosed
US-20230135552-A1 Compounds Useful In Inhibiting Ketohexokinase And Methods Of Making And Using The Same INORBIT THERAPEUTICS AB (SE) 2023-05-04 US disclosed
US-20230135552-A1 Compounds Useful In Inhibiting Ketohexokinase And Methods Of Making And Using The Same INORBIT THERAPEUTICS AB (SE) 2023-05-04 US disclosed
EP-4106762-A1 COMPOUNDS USEFUL IN INHIBITING KETOHEXOKINASE AND METHODS OF MAKING AND USING THE SAME INORBIT THERAPEUTICS AB (SE) 2022-12-28 EP disclosed
CN-115361999-A 2- [ 2-methylazetidin-1-yl ] -4-phenyl-6- (trifluoromethyl) -pyrimidine compounds 伊莱利利公司 2022-11-18 CN disclosed
CN-115315259-A Compounds useful for inhibition of ketohexokinase and methods of making and using the same 因奥必治疗有限公司 2022-11-08 CN disclosed
WO-2022135390-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF 四川海思科制药有限公司 2022-06-30 WO disclosed
US-20220017496-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS ELI LILLY AND COMPANY 2022-01-20 US disclosed
US-11124500-B2 Disubstituted pyrazole compounds ELI LILLY AND COMPANY (US) 2021-09-21 US disclosed
WO-2021161023-A1 COMPOUNDS USEFUL IN INHIBITING KETOHEXOKINASE AND METHODS OF MAKING AND USING THE SAME INORBIT THERAPEUTICS AB (SE) 2021-08-19 WO disclosed
EP-3846809-A1 2,6-DIAMINO PYRIDINE COMPOUNDS Eli Lilly and Company (US) 2021-07-14 EP disclosed
WO-2020257171-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHIBITORS ELI LILLY AND COMPANY (US) 2020-12-24 WO disclosed
US-20200392118-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS ELI LILLY AND COMPANY 2020-12-17 US disclosed
US-10781212-B2 2,6-diamino pyridine compounds ELI LILLY AND COMPANY (US) 2020-09-22 US disclosed
US-20200071331-A1 2,6-DIAMINO PYRIDINE COMPOUNDS LILLY CO ELI (US) 2020-03-05 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 (7 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-11124500-B2 Disubstituted pyrazole compounds SLC5A2, SLC5A1, GOT2 OPRM1 4395/4885OPRD1 3957/4885OPRK1 2765/4885
US-20200392118-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS SLC5A2, SLC5A1, GOT2 OPRM1 4395/4885OPRD1 3957/4885OPRK1 2765/4885
US-20220017496-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS SLC5A2, SLC5A1, GOT2 OPRM1 4250/4885OPRD1 3755/4885OPRK1 2610/4885
US-20230167087-A1 2-[2-METHYLAZETIDIN-1-YL]-4-PHENYL-6-(TRIFLUOROMETHYL)-PYRIMIDINE COMPOUNDS SLC5A2, GOT2, FABP1 OPRM1 3186/4885OPRD1 3289/4885OPRK1 2678/4885
US-20200071331-A1 2,6-DIAMINO PYRIDINE COMPOUNDS SLC5A2, GOT2, SLC5A1 OPRM1 3975/4885OPRD1 4252/4885OPRK1 3086/4885
US-10781212-B2 2,6-diamino pyridine compounds SLC5A2, GOT2, SLC5A1 OPRM1 3975/4885OPRD1 4252/4885OPRK1 3086/4885
US-20230135552-A1 Compounds Useful In Inhibiting Ketohexokinase And Methods Of Making And Using The Same KHK, GCK, HK1 OPRM1 4368/4885OPRD1 4553/4885OPRK1 777/4885

“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.