SCHEMBL72934

SCHEMBL72934

O=C(Nc1ccc(Cl)cc1C1=CCN(Cc2ccccc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
NAMPT P43490 1/20 0.46
DRD4 P21917 3/20 0.44
DRD3 P35462 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DRD2 P14416 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
CA9 Q16790 1/20 0.42
HTR6 P50406 1/20 0.42
F10 P00742 2/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
BCHE P06276 1/20 0.41
HTR1A P08908 1/20 0.40

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
SCHEMBL73208 0.87 MCHR1 (0.43) LMNAMAPTKDM4EHTR1A
SCHEMBL73209 0.87 MCHR1 (0.43) LMNAMAPTKDM4EHTR1A
Hydrochloric Acid SCHEMBL74207 0.83 DYRK1A (0.44) DRD4MAPTDRD2CA9F10
SCHEMBL73625 0.83 MCHR1 (0.37) LMNAMAPTKDM4EF10HTR1A
SCHEMBL73626 0.83 MCHR1 (0.37) LMNAMAPTKDM4EF10HTR1A
SCHEMBL74631 0.80 HTR1F (0.38) LMNADRD2CCNT1CDK9
SCHEMBL74632 0.80 HTR1F (0.38) LMNADRD2CCNT1CDK9
SCHEMBL14747956 0.79 MCHR1 (0.42) LMNAMAPTKDM4EHTR1A
SCHEMBL73186 0.78 TRPV1 (0.39)
SCHEMBL73187 0.78 TRPV1 (0.39)

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 20 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-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-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-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-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-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
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 OPRM1 28/4885OPRK1 608/4885NAMPT 3925/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 OPRM1 24/4885OPRK1 605/4885NAMPT 3771/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 OPRM1 33/4885OPRK1 928/4885NAMPT 4264/4885

“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.