SCHEMBL18965035

SCHEMBL18965035

CC(C)N1CCC(n2ncc3cc(C(F)(F)F)ccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.47
SCD O00767 2/20 0.46
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HTR2A P28223 4/20 0.41
HTR7 P34969 4/20 0.41
KCNH2 Q12809 2/20 0.41
OGA O60502 2/20 0.40
DRD2 P14416 1/20 0.39
PKM P14618 1/20 0.39
USP2 O75604 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TRPV4 Q9HBA0 2/20 0.37
OPRM1 P35372 1/20 0.37
BRAF P15056 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37

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
SCHEMBL21038277 0.86 SCD (0.51) SCDCYP11B1CYP11B2HTR2AHTR7
SCHEMBL3353482 0.81 CHEK1 (0.42) NR3C1SCDHTR2AHTR7KCNH2
SCHEMBL29042132 0.81 HTR7 (0.41) NR3C1SCDHTR2AHTR7KCNH2
SCHEMBL30271240 0.81 CHEK1 (0.42) NR3C1SCDHTR2AHTR7KCNH2
SCHEMBL21671869 0.80 NR3C1 (0.41) NR3C1SCDHTR2AHTR7KCNH2
SCHEMBL22743605 0.80 HTR2A (0.41) NR3C1SCDHTR2AHTR7KCNH2
SCHEMBL31587823 0.78 SIGMAR1 (0.48) NR3C1SCDCYP11B1CYP11B2DRD2
SCHEMBL3356648 0.76 GLS (0.44) HTR2AHTR7KCNH2DRD2GPR119
SCHEMBL21026000 0.74 GPR119 (0.42) NR3C1SCDCYP11B1CYP11B2HTR2A
SCHEMBL15656574 0.74 ALDH1A1 (0.45) SCDPKMUSP2GPR119LMNA

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 2 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

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 NR3C1 4709/4885SCD 3961/4885CYP11B1 2367/4885

“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.