SCHEMBL83668

SCHEMBL83668

CC(C)(C)C(=O)Nc1ccccc1C1(O)CCN(P)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.44
MAPT P10636 4/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX12 P18054 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL83689 0.81 SIGMAR1 (0.48) CETPMAPTTSHRUSP2GLA
SCHEMBL2909371 0.77 CETP (0.48) CETPMAPTTSHRUSP2GLA
SCHEMBL2077259 0.72 PDK2 (0.46) MAPTTSHRMEN1KMT2AMAPK1
SCHEMBL5661892 0.72 CETP (0.49) CETPMAPTTSHRMEN1KMT2A
SCHEMBL13556439 0.72 CETP (0.46) CETPMAPTTSHRUSP2GLA
SCHEMBL10917431 0.71 POLB (0.42) MAPTTSHRUSP2GLAMEN1
SCHEMBL5706504 0.71 CETP (0.71) CETPTSHRMEN1KMT2AL3MBTL1
SCHEMBL16777011 0.70 OPRM1 (0.60)
SCHEMBL73170 0.70 CCR3 (0.51) MAPTTSHRKMT2ASMN1; SMN2POLB
SCHEMBL73284 0.69 MEN1 (0.49) MEN1KMT2AMAPK1POLBALDH1A1

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 11 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
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 4192/4885MAPT 3653/4885TSHR 2376/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 CETP 4119/4885MAPT 3958/4885TSHR 2317/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 CETP 4092/4885MAPT 3598/4885TSHR 2605/4885

“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.