SCHEMBL411967

SCHEMBL411967

NCc1nc(C(F)(F)F)no1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NOTUM Q6P988 1/20 0.38
CNR2 P34972 1/20 0.30

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
Hydrochloric Acid SCHEMBL442491 0.98 SLC6A2 (0.42) SLC6A2SLC6A3NOTUM
SCHEMBL10930089 0.78 SLC6A2 (0.46) SLC6A2SLC6A3CNR2
SCHEMBL21709605 0.78 PIK3CG (0.39) NOTUM
SCHEMBL25017351 0.78 SLC6A2 (0.43) SLC6A2SLC6A3CNR2
SCHEMBL1668621 0.78 SLC6A2 (0.43) SLC6A2SLC6A3CNR2
SCHEMBL10865096 0.76 SLC6A2 (0.37) SLC6A2SLC6A3
SCHEMBL16817445 0.74 MEN1 (0.41) SLC6A2SLC6A3
SCHEMBL21503388 0.71 SLC6A2 (0.36) SLC6A2SLC6A3CNR2
Hydrochloric Acid SCHEMBL21491515 0.70 SLC6A2 (0.35) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL21491517 0.70 SLC6A2 (0.35) SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP claimed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US claimed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US claimed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP claimed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO claimed
EP-2755952-B1 5-CYCLOALKYL- OR 5-HETEROCYCLYL-NICOTINAMIDES HOFFMANN LA ROCHE (CH) 2016-03-30 EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20150057281-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2015-02-26 US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
WO-2013037721-A1 5-CYCLOALKYL- OR 5-HETEROCYCLYL-NICOTINAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
US-20130065907-A1 5-CYCLOALKYL- OR 5-HETEROCYCLYL-NICOTINAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR SLC6A2 3714/4885SLC6A3 3954/4885NOTUM 391/4885
US-20130065907-A1 5-CYCLOALKYL- OR 5-HETEROCYCLYL-NICOTINAMIDES NNT, APOB, LDLR SLC6A2 2377/4885SLC6A3 3858/4885NOTUM 751/4885
US-20150057281-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 SLC6A2 3532/4885SLC6A3 4053/4885NOTUM 283/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR SLC6A2 3714/4885SLC6A3 3954/4885NOTUM 391/4885

“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.