SCHEMBL2399580

SCHEMBL2399580

CC(N)(C#N)COc1cc(C#N)ccc1Oc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
HRH1 P35367 1/20 0.41
FNTB P49356 1/20 0.41
AR P10275 3/20 0.40
KCNH2 Q12809 3/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR2A P28223 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
DDR1 Q08345 1/20 0.38
MCHR1 Q99705 1/20 0.35
FFAR1 O14842 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
ESRRA P11474 1/20 0.34
CNR1 P21554 2/20 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
SCHEMBL3369984 0.85 SLC6A4 (0.54) FNTBARKCNH2SLC6A4SLC6A3
SCHEMBL12096582 0.81 AR (0.54) ARKCNH2SLC6A4SLC6A3HTR2A
SCHEMBL2402612 0.80 PPARD (0.43) SIGMAR1HRH1FNTBARKCNH2
SCHEMBL12096613 0.80 PTGDR (0.42) SIGMAR1HRH1FNTBSLC6A4PPARD
SCHEMBL12096570 0.80 PTGDR (0.42) SIGMAR1HRH1FNTBSLC6A4PPARD
SCHEMBL12096575 0.80 PTGDR (0.42) SIGMAR1HRH1FNTBSLC6A4PPARD
SCHEMBL2400201 0.77 KCNH2 (0.39) SIGMAR1HRH1FNTBARKCNH2
SCHEMBL10064488 0.77 PTGDR (0.40) SIGMAR1HRH1FNTBARPPARD
SCHEMBL15163377 0.77 PPARD (0.36) SIGMAR1HRH1FNTBKCNH2SLC6A4
SCHEMBL2402520 0.77 PPARD (0.36) SIGMAR1HRH1FNTBKCNH2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759564-B2 Amidoacetonitrile compounds having pesticidal activity NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2503882-B1 AMIDOACETONITRILE COMPOUNDS HAVING PESTICIDAL ACTIVITY NOVARTIS AG (CH) 2014-03-05 EP disclosed
EP-2373162-B1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NOVARTIS AG (CH) 2013-08-14 EP disclosed
US-20120232138-A1 AMIDOACETONITRILE COMPOUNDS HAVING PESTICIDAL ACTIVITY NOVARTIS AG (CH) 2012-09-13 US disclosed
US-8168681-B2 Amidoacetonitrile compounds and pesticidal composition thereof NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20110230563-A1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NOVARTIS AG 2011-09-22 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 (2 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-20120232138-A1 AMIDOACETONITRILE COMPOUNDS HAVING PESTICIDAL ACTIVITY ACHE, NAAA, NIT2 SIGMAR1 4662/4885HRH1 2196/4885FNTB 940/4885
US-20110230563-A1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NAAA, PTMS, NIT2 SIGMAR1 4696/4885HRH1 2763/4885FNTB 823/4885

“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.