SCHEMBL18965249

SCHEMBL18965249

CC(C)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGA O60502 11/20 0.59
HRH3 Q9Y5N1 3/20 0.44
ACACB O00763 1/20 0.43
TIPARP Q7Z3E1 3/20 0.41
TNKS O95271 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP12 Q9H0J9 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
SLC6A9 P48067 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL1742670 0.85 OGA (0.49) OGAHRH3
SCHEMBL21419379 0.85 OGA (0.46) OGAHRH3ACACB
SCHEMBL17897245 0.81 OGA (0.56) OGAHRH3
SCHEMBL18825788 0.81 OGA (0.49) OGAHRH3PPARGPPARDPPARA
SCHEMBL14417584 0.80 HRH3 (0.64) OGAHRH3
SCHEMBL890101 0.79 OGA (0.55) OGAHRH3
SCHEMBL24968333 0.78 OGA (0.46) OGATIPARPPPARGPPARDPPARA
SCHEMBL1126338 0.77 OGA (0.53) OGAHRH3
SCHEMBL1743222 0.77 PANK3 (0.47) OGAHRH3ACACBTIPARP
SCHEMBL889353 0.77 OGA (0.45) OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-05-30 US disclosed
WO-2017097927-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-06-15 WO disclosed
CN-103110635-A Histamine H3 receptor antagonist NOVO NORDISK AS 2013-05-22 CN 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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES ACHE, AADAC, ATL3 OGA 1546/4885HRH3 1945/4885ACACB 392/4885

“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.