SCHEMBL83107

SCHEMBL83107

CC(C)(C)C(=O)Nc1ccccc1C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.48
HTR2C P28335 8/20 0.47
HSD17B10 Q99714 1/20 0.44
MAP4K1 Q92918 1/20 0.43
CHRM3 P20309 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
CHEK1 O14757 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
BRPF1 P55201 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
SCHEMBL27561971 0.84 HTR2C (0.51) HTR2CHSD17B10MAP4K1CHRM3CHEK1
Hydrochloric Acid SCHEMBL7669676 0.82 HTR2C (0.53) HTR2CHSD17B10MAP4K1CHEK1BRPF1
SCHEMBL8553355 0.82 HTR2C (0.53) HTR2CHSD17B10MAP4K1CHRM3CHEK1
SCHEMBL75151 0.81 CHRM3 (0.43) CHRM3TLR9TLR8TLR7BRPF1
SCHEMBL7676995 0.81 HTR2C (0.53) HTR2CHSD17B10MAP4K1CHRM3CHEK1
SCHEMBL13556439 0.81 CETP (0.46) CETPHSD17B10MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL7666631 0.80 HTR2C (0.54) HTR2CHSD17B10MAP4K1CHRM3CHEK1
SCHEMBL5660577 0.80 MDM4 (0.50) CETPHTR2CHSD17B10MAP4K1CHEK1
Hydrochloric Acid SCHEMBL7672523 0.80 ALDH1A1 (0.53) HTR2CHSD17B10MAP4K1CHRM3CHEK1
Hydrochloric Acid SCHEMBL6605507 0.79 HTR2C (0.49) HTR2CHSD17B10MAP4K1KMT2ACHEK1

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 10 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-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
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US 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-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 CETP 4192/4885HTR2C 3763/4885HSD17B10 4553/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 CETP 4119/4885HTR2C 3328/4885HSD17B10 4611/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 CETP 4092/4885HTR2C 4349/4885HSD17B10 3851/4885

“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.