SCHEMBL72813

SCHEMBL72813

CC(Cl)OC(=O)N1CC=C(c2cc(Cl)ccc2NC(=O)c2ccnc(Cl)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
CNR1 P21554 1/20 0.38
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
WDR5 P61964 1/20 0.36
THRB P10828 1/20 0.36
CCR1 P32246 1/20 0.36
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
NAMPT P43490 1/20 0.36
SLC6A15 Q9H2J7 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
GSK3B P49841 1/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
WNT3A P56704 1/20 0.35

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
SCHEMBL15388399 0.97 MAPT (0.36) MAPTCNR1CCNT1CDK9TRPV1
Hydrochloric Acid SCHEMBL74207 0.84 DYRK1A (0.44) MAPTGSK3B
SCHEMBL72934 0.77 OPRM1 (0.47) MAPTCCNT1CDK9NAMPTEGLN1
SCHEMBL73626 0.75 MCHR1 (0.37) MAPTPROKR1
SCHEMBL73625 0.75 MCHR1 (0.37) MAPTPROKR1
Hydrochloric Acid SCHEMBL74316 0.74 CCNT1 (0.44) CCNT1CDK9GSK3B
SCHEMBL84319 0.74 CCNT1 (0.44) CCNT1CDK9GSK3B
SCHEMBL73208 0.73 MCHR1 (0.43) MAPT
SCHEMBL73209 0.73 MCHR1 (0.43) MAPT
SCHEMBL74632 0.72 HTR1F (0.38) CCNT1CDK9TRPV1IDO1TDO2

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-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
CN-103214460-A Chemical compounds SYNGENTA PARTICIPATIONS AG 2013-07-24 CN 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
EP-1763302-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2007-03-21 EP disclosed
WO-2006003494-A2 PIPERIDINE DERIVATIVES AND THEIR USE AS INSECTICIDES, ACARICIDES, MOLLUSCICIDES OR NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-01-12 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 (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 MAPT 3653/4885CNR1 303/4885CCNT1 679/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 MAPT 3958/4885CNR1 277/4885CCNT1 675/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 MAPT 3598/4885CNR1 427/4885CCNT1 785/4885

“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.