SCHEMBL4630873

SCHEMBL4630873

COc1cc(F)c(F)cc1CCNC1CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 10/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
KDM1A O60341 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL20767132 0.90 ALDH1A1 (0.45) ALDH1A1MEN1GAAKMT2ALMNA
SCHEMBL4630869 0.84 MEN1 (0.62) ALDH1A1MEN1GAAKMT2AL3MBTL1
SCHEMBL20767017 0.74 KDM4E (0.54) ALDH1A1MEN1GAAKMT2AKDM4E
SCHEMBL20562467 0.72 TAAR1 (0.66) HTR2AHTR2CHTR2B
SCHEMBL34463042 0.72 TAAR1 (0.66) HTR2AHTR2CHTR2B
SCHEMBL27678560 0.72 ALDH1A1 (0.50) ALDH1A1MEN1GAAKMT2ALMNA
SCHEMBL27766249 0.72 KMT2A (0.59) ALDH1A1MEN1GAAKMT2ALMNA
SCHEMBL1678515 0.71 ALDH1A1 (0.60) ALDH1A1MEN1GAAKMT2ALMNA
SCHEMBL26014131 0.71 HTR2A (0.66) ALDH1A1MEN1GAAKMT2ALMNA
SCHEMBL17006155 0.71 TAAR1 (0.44) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470103-B1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2008-05-14 EP disclosed
US-7153814-B2 Amidoacetonitrile derivatives NOVARTIS ANIMAL HEALTH US, INC. (US) 2006-12-26 US disclosed
US-20050059736-A1 Amidoacetonitrile derivatives NOVARTIS ANIMAL HEALTH US, INC. 2005-03-17 US disclosed
EP-1470103-A1 AMIDOACETONITRILE DERIVATIVES Novartis AG (CH) 2004-10-27 EP disclosed
WO-2003059868-A1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2003-07-24 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-20050059736-A1 Amidoacetonitrile derivatives ARG1, NAT1, NMBR ALDH1A1 776/4885MEN1 322/4885GAA 3480/4885

“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.