SCHEMBL19435338

SCHEMBL19435338

CC[C@@H](CNc1ncc(C(F)(F)F)cn1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC3 O15379 5/20 0.33
▸ HDAC1 Q13547 5/20 0.33
▸ HDAC2 Q92769 5/20 0.33
▸ HDAC6 Q9UBN7 5/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ VNN1 O95497 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ SYK P43405 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
SCHEMBL19435335 1.00 CACNA1G (0.34) CACNA1GCACNA1BCACNA1CMEN1KMT2A
SCHEMBL20714709 0.86 CACNA1G (0.35) CACNA1GCACNA1BCACNA1CMEN1KMT2A
SCHEMBL19435374 0.81 CACNA1G (0.35) CACNA1GCACNA1BCACNA1CMEN1KMT2A
SCHEMBL19435372 0.81 CACNA1G (0.35) CACNA1GCACNA1BCACNA1CMEN1KMT2A
SCHEMBL19477567 0.80 POLB (0.34) CACNA1GCACNA1BCACNA1CMEN1KMT2A
SCHEMBL20866074 0.76 HDAC3 (0.32) CACNA1GCACNA1BCACNA1CHDAC3HDAC1
SCHEMBL22678958 0.75 SCN9A (0.35) CACNA1GCACNA1BCACNA1CMEN1KMT2A
SCHEMBL17571423 0.75 SCN9A (0.35) CACNA1GCACNA1BCACNA1CMEN1KMT2A
SCHEMBL17571385 0.74 TSHR (0.43) L3MBTL1PTK2MAPK1
SCHEMBL17571388 0.74 HCRTR1 (0.38) L3MBTL1VNN1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2024-07-02 — — US disclosed
US-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2024-07-02 — — US disclosed
EP-3189043-B1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LTD (GB) 2020-11-18 — — EP disclosed
EP-3189043-B1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LTD (GB) 2020-11-18 — — EP disclosed
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LIMITED 2020-08-27 — — US disclosed
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR C4X DISCOVERY LIMITED 2020-08-27 — — US disclosed
US-10611760-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2020-04-07 — — US disclosed
US-10611760-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor C4X DISCOVERY LIMITED (GB) 2020-04-07 — — US disclosed
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR INDIVIOR INC. 2017-10-12 — — US disclosed
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR INDIVIOR INC. 2017-10-12 — — 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 (4 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-12024509-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R CACNA1G 1529/4885CACNA1B 1379/4885CACNA1C 1425/4885
US-20200270247-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R CACNA1G 1529/4885CACNA1B 1379/4885CACNA1C 1425/4885
US-10611760-B2 Therapeutic compounds as inhibitors of the orexin-1 receptor HCRTR1, HCRTR2, NPY1R CACNA1G 1529/4885CACNA1B 1379/4885CACNA1C 1425/4885
US-20170291897-A1 THERAPEUTIC COMPOUNDS AS INHIBITORS OF THE OREXIN-1 RECEPTOR HCRTR1, HCRTR2, NPY1R CACNA1G 1529/4885CACNA1B 1379/4885CACNA1C 1425/4885

“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.

Send feedback