SCHEMBL3159478

SCHEMBL3159478

N#Cc1ccnc(OCC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.45
HCRTR1 O43613 3/20 0.45
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
GRM5 P41594 2/20 0.38
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
SYK P43405 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MGLL Q99685 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL30939142 0.87 HCRTR2 (0.37) HCRTR2HCRTR1CYP11B1CYP11B2GRM5
SCHEMBL13571061 0.84 EPHX2 (0.44) HCRTR2HCRTR1CYP11B1CYP11B2GRM5
SCHEMBL13571312 0.83 NUDT1 (0.46) HCRTR2HCRTR1CYP11B1CYP11B2GRM5
SCHEMBL6247691 0.78 GRM5 (0.36) HCRTR2HCRTR1CYP11B1CYP11B2GRM5
SCHEMBL4930416 0.77 GABRG2 (0.49) HCRTR2HCRTR1CYP11B1CYP11B2GRM5
SCHEMBL22637463 0.77 MGLL (0.39) HCRTR2HCRTR1CYP11B1CYP11B2GRM5
SCHEMBL7471262 0.76 HCRTR2 (0.33) HCRTR2HCRTR1CYP11B1CYP11B2GRM5
SCHEMBL4182663 0.75 MAPT (0.46) HCRTR2HCRTR1EPHX2L3MBTL1SMN1; SMN2
SCHEMBL2694186 0.75 L3MBTL1 (0.51) HCRTR2HCRTR1CYP11B1CYP11B2EPHX2
SCHEMBL19999901 0.75 GRM5 (0.38) HCRTR2HCRTR1CYP11B1CYP11B2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735423-A1 KV7 MODULATORS Saniona A/S (DK) 2026-05-06 EP disclosed
US-20250282725-A1 KCNQ POTENTIATORS Eii Lilly and Company 2025-09-11 US disclosed
US-12344584-B2 KCNQ potentiators ELI LILLY AND COMPANY (US) 2025-07-01 US disclosed
WO-2025003343-A1 KV7 MODULATORS SANIONA A/S (DK) 2025-01-02 WO disclosed
US-20240076269-A1 KCNQ POTENTIATORS Eii Lilly and Company (US) 2024-03-07 US disclosed
US-11840516-B2 KCNQ potentiators ELI LILLY AND COMPANY (US) 2023-12-12 US disclosed
EP-3921030-B1 1-((2-(2,2,2-TRIFLUOROETHOXY)PYRIDIN-4-YL)METHYL)UREA DERIVATIVES AS KCNQ POTENTIATORS LILLY CO ELI (US) 2023-10-11 EP disclosed
US-20230271950-A1 ANTIBACTERIAL PICOLINAMIDE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-08-31 US disclosed
US-20230271950-A1 ANTIBACTERIAL PICOLINAMIDE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-08-31 US disclosed
WO-2023019912-A9 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-06-01 WO disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 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-20250282725-A1 KCNQ POTENTIATORS KCNN3, KCNQ1, KCNN1 HCRTR2 4121/4885HCRTR1 3473/4885CYP11B1 2069/4885
US-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HCRTR2 3524/4885HCRTR1 3439/4885CYP11B1 69/4885
US-12344584-B2 KCNQ potentiators KCNN3, KCNQ1, KCNN1 HCRTR2 4121/4885HCRTR1 3473/4885CYP11B1 2069/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC HCRTR2 2904/4885HCRTR1 2745/4885CYP11B1 59/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HCRTR2 3524/4885HCRTR1 3439/4885CYP11B1 69/4885
US-11840516-B2 KCNQ potentiators KCNN3, KCNQ1, KCNN1 HCRTR2 4121/4885HCRTR1 3473/4885CYP11B1 2069/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HCRTR2 3524/4885HCRTR1 3439/4885CYP11B1 69/4885
US-20240076269-A1 KCNQ POTENTIATORS KCNN3, KCNQ1, KCNN1 HCRTR2 4121/4885HCRTR1 3473/4885CYP11B1 2069/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HCRTR2 3000/4885HCRTR1 2746/4885CYP11B1 61/4885
US-20230271950-A1 ANTIBACTERIAL PICOLINAMIDE COMPOUNDS RPL35, RPL5, RPL23 HCRTR2 2966/4885HCRTR1 2237/4885CYP11B1 4615/4885

“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.