SCHEMBL796413

SCHEMBL796413

FC(F)(F)CO[C@@H]1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
KCNH2 Q12809 4/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
HTR1A P08908 2/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 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
SCHEMBL22488274 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CHRM2
SCHEMBL22488273 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CHRM2
Hydrochloric Acid SCHEMBL17220468 0.98 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2CHRM2
Hydrochloric Acid SCHEMBL15477133 0.98 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2CHRM2
Hydrochloric Acid SCHEMBL795912 0.98 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2CHRM2
SCHEMBL15421741 0.88 CHRNB2 (0.41) SLC6A2CHRM2CHRM1CHRM3HTR1A
SCHEMBL408304 0.87 HTR2C (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL12321050 0.82 SLC6A4 (0.31) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL17255450 0.80 CYP2D6 (0.30) SLC6A2SLC6A4SLC6A3
Acetic Acid SCHEMBL437553 0.76 PMP22 (0.35) SLC6A2SLC6A4SLC6A3

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-20230081390-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2023-03-16 US disclosed
EP-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 EP disclosed
CN-113874381-A Inhibitors of RAF kinase 金耐特生物制药公司 2021-12-31 CN disclosed
WO-2020198058-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2020-10-01 WO disclosed
WO-2020198058-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2020-10-01 WO disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO 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 (3 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SLC6A2 2271/4885SLC6A4 1854/4885SLC6A3 2729/4885
US-20230081390-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF SLC6A2 4848/4885SLC6A4 4865/4885SLC6A3 4772/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SLC6A2 2271/4885SLC6A4 1854/4885SLC6A3 2729/4885

“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.