SCHEMBL3597416

SCHEMBL3597416

CC(N)(C#N)COc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.43
SSTR4 P31391 3/20 0.42
SSTR1 P30872 2/20 0.41
SGMS2 Q8NHU3 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CYP3A4 P08684 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
NOTUM Q6P988 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MRGPRX1 Q96LB2 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
SCHEMBL16252771 0.82 SSTR4 (0.46) ARSSTR4SSTR1RXRARXRB
SCHEMBL31413934 0.80 AAK1 (0.42) ARSSTR4CYP3A4AAK1MRGPRX4
SCHEMBL3168510 0.80 AAK1 (0.42) ARSSTR4CYP3A4AAK1MRGPRX4
SCHEMBL28060228 0.76 RXRA (0.50) SSTR4SSTR1RXRARXRBRXRG
SCHEMBL3428539 0.76 KMT2A (0.41) SSTR4RXRARXRBRXRGCYP3A4
SCHEMBL14499044 0.76 MEN1 (0.45) SSTR4SSTR1RXRARXRBRXRG
SCHEMBL10031201 0.76 RIPK1 (0.44) ARSGMS2
SCHEMBL14242284 0.76 SSTR4 (0.46) ARSSTR4SSTR1RXRARXRB
SCHEMBL14227158 0.76 SSTR4 (0.46) ARSSTR4SSTR1RXRARXRB
SCHEMBL31391964 0.74 RXRA (0.45) ARRXRARXRBRXRGMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705044-B2 Benzamidoacetonitriles and their use as antiparasitics NOVARTIS AG (CH) 2010-04-27 US disclosed
EP-1758849-A1 AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES ON WARM-BLOODED ANIMALS Novartis AG (CH) 2007-03-07 EP disclosed
EP-1390344-B1 BENZAMIDOACETONITRILE DERIVATIVES AND THEIR USE AS ANTIPARASITICS NOVARTIS AG (CH) 2006-12-27 EP disclosed
WO-2005121075-A1 AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES ON WARM-BLOODED ANIMALS NOVARTIS AG (CH) 2005-12-22 WO disclosed
US-20040220055-A1 Benzamidoacetonitriles and their use as antiparastics NOVARTIS AG (CH) 2004-11-04 US disclosed
EP-1390344-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2004-02-25 EP disclosed
WO-2002092552-A2 BENZAMIDOACETONITRILES AND THEIR USE AS ANTIPARASITICS NOVARTIS AG (CH) 2002-11-21 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 (1 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-20040220055-A1 Benzamidoacetonitriles and their use as antiparastics ACHE, BPNT1, NAT1 AR 3810/4885SSTR4 4422/4885SSTR1 2728/4885

“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.