SCHEMBL74150

SCHEMBL74150

CC(C)(C)OC(=O)N1CC=C(c2ncc(Cl)cc2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.49
CYP11B2 P19099 1/20 0.47
CNR1 P21554 2/20 0.47
GRM1 Q13255 10/20 0.46
GRM5 P41594 9/20 0.46
PDK4 Q16654 1/20 0.45
ATR Q13535 2/20 0.44
BTK Q06187 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL30366133 0.88 GRM1 (0.49) TNK2CYP11B2CNR1GRM1GRM5
SCHEMBL30899649 0.88 GRM1 (0.49) TNK2CYP11B2CNR1GRM1GRM5
SCHEMBL21512721 0.87 TNK2 (0.49) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL29968677 0.87 TNK2 (0.49) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL1463273 0.87 GRM1 (0.51) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL31583898 0.87 GRM1 (0.55) TNK2CYP11B2CNR1GRM1GRM5
SCHEMBL25311684 0.83 GRM1 (0.48) TNK2CYP11B2CNR1GRM1GRM5
SCHEMBL31083549 0.83 GRM1 (0.48) TNK2CYP11B2CNR1GRM1GRM5
SCHEMBL27929255 0.83 TRPV1 (0.41)
SCHEMBL29138576 0.82 GRM1 (0.53) TNK2CYP11B2CNR1GRM1GRM5

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-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
EP-1763302-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-06 EP disclosed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 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 (3 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-20120270885-A1 CHEMICAL COMPOUNDS H1-0, CHRM1, MRM1 TNK2 2371/4885CYP11B2 1232/4885CNR1 303/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 TNK2 2714/4885CYP11B2 1304/4885CNR1 277/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 TNK2 2923/4885CYP11B2 2653/4885CNR1 427/4885

“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.