SCHEMBL264652

SCHEMBL264652

NCCc1ccc(C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
DAO P14920 1/20 0.50
KMT2A Q03164 1/20 0.49
MAOB P27338 3/20 0.46
HRH1 P35367 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MBOAT4 Q96T53 1/20 0.40
PTGS1 P23219 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IDO1 P14902 1/20 0.37
KIF11 P52732 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31477886 1.00 TAAR1 (0.52) TAAR1DAOKMT2AMAOBHRH1
Hydrochloric Acid SCHEMBL2130617 0.98 TAAR1 (0.50) TAAR1DAOKMT2AMAOBHRH1
SCHEMBL2550872 0.84 KMT2A (0.52) TAAR1DAOKMT2AMAOBKDM1A
SCHEMBL29408885 0.84 KMT2A (0.52) TAAR1DAOKMT2AMAOBKDM1A
Hydrochloric Acid SCHEMBL23572864 0.82 KMT2A (0.50) TAAR1DAOKMT2AMAOBKDM1A
Hydrochloric Acid SCHEMBL3902582 0.82 KMT2A (0.50) TAAR1DAOKMT2AMAOBKDM1A
SCHEMBL10115954 0.81 DAO (0.50) DAOKMT2AMAOBKDM1AMAOA
SCHEMBL29852337 0.81 DAO (0.50) DAOKMT2AMAOBKDM1AMAOA
SCHEMBL27713067 0.81 DAO (0.50) DAOKMT2AMAOBKDM1AMAOA
SCHEMBL1311062 0.81 DAO (0.50) DAOKMT2AMAOBKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558944-B1 HYDROGENATION OF A SUBSTITUTED 2-METHYL CYANOPYRIDYL DERIVATIVE IN THE PRESENCE OF A RANEY COBALT CATALYST BAYER CROPSCIENCE AG (DE) 2022-03-09 EP disclosed
US-10766859-B2 Catalytic hydrogenation of nitriles BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-09-08 US disclosed
US-20200039936-A1 CATALYTIC HYDROGENATION OF NITRILES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-06 US disclosed
EP-3558944-A1 CATALYTIC HYDROGENATION OF NITRILES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP disclosed
US-10414730-B2 Catalytic hydrogenation of nitriles BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-09-17 US disclosed
US-20180244621-A1 CATALYTIC HYDROGENATION OF NITRILES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-08-30 US disclosed
WO-2018114810-A1 CATALYTIC HYDROGENATION OF NITRILES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
US-9988353-B2 Catalytic hydrogenation of nitriles BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
EP-3068766-B1 CATALYTIC HYDROGENATION OF NITRILES BAYER CROPSCIENCE AG (DE) 2018-01-10 EP disclosed
US-20160280648-A1 CATALYTIC HYDROGENATION OF NITRILES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-09-29 US disclosed
EP-3068766-A1 CATALYTIC HYDROGENATION OF NITRILES Bayer CropScience Aktiengesellschaft (DE) 2016-09-21 EP disclosed
WO-2015071230-A1 CATALYTIC HYDROGENATION OF NITRILES BAYER CROPSCIENCE AG (DE) 2015-05-21 WO disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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 (6 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-10766859-B2 Catalytic hydrogenation of nitriles HNMT, NUP50, HCN2 TAAR1 2302/4885DAO 642/4885KMT2A 1306/4885
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 TAAR1 68/4885DAO 1311/4885KMT2A 762/4885
US-20180244621-A1 CATALYTIC HYDROGENATION OF NITRILES PNMT, HNMT, HPD TAAR1 1438/4885DAO 260/4885KMT2A 477/4885
US-20200039936-A1 CATALYTIC HYDROGENATION OF NITRILES HNMT, NUP50, HCN2 TAAR1 2302/4885DAO 642/4885KMT2A 1306/4885
US-20160280648-A1 CATALYTIC HYDROGENATION OF NITRILES PNMT, HNMT, PYCR1 TAAR1 1360/4885DAO 322/4885KMT2A 479/4885
US-10414730-B2 Catalytic hydrogenation of nitriles PNMT, HNMT, HPD TAAR1 1438/4885DAO 260/4885KMT2A 477/4885

“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.