SCHEMBL1725571

SCHEMBL1725571

O=C(c1ccnc(Cl)c1)[NH+]([O-])c1cccc(C(F)(F)F)c1C1CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
LSS P48449 1/20 0.37
CCR2 P41597 4/20 0.37
WNK1 Q9H4A3 1/20 0.36
PROKR1 Q8TCW9 4/20 0.36
SLC9A1 P19634 1/20 0.36
ACHE P22303 1/20 0.36
FAAH O00519 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
SCHEMBL1726750 0.83 MEN1 (0.48) UBE2MDCUN1D1CCR2
SCHEMBL1726693 0.79 MCHR1 (0.38) ACHE
SCHEMBL1844021 0.77 WNK1 (0.43) DRD2DRD4DRD3UBE2MDCUN1D1
SCHEMBL1726870 0.75 LSS (0.34) UBE2MDCUN1D1LSSCCR2WNK1
SCHEMBL1844023 0.74 MEN1 (0.53) DRD2DRD4UBE2MDCUN1D1LSS
SCHEMBL1463161 0.69 PROKR1 (0.35) PROKR1
SCHEMBL16494664 0.69 PROKR1 (0.35) PROKR1
SCHEMBL12482193 0.69 OPRM1 (0.42) LSSACHE
SCHEMBL1727312 0.67 MCHR1 (0.44) ACHE
SCHEMBL12153529 0.67 MCHR1 (0.44) ACHE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034476-B2 Insecticidal phenyl-or pyridyl-piperdine compounds SYNGENTA PARTICIPATIONS AG (CH) 2018-07-31 US disclosed
US-20170347650-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-07 US disclosed
US-9808006-B2 Insecticidal phenyl-or pyridyl-piperdine compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 US disclosed
US-20130317062-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-28 US disclosed
US-8518971-B2 Insecticidal phenyl- or pyridyl-piperdine compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-08-27 US disclosed
WO-2012037282-A3 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2012-05-10 WO disclosed
EP-2324010-B1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERIDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-11-30 EP disclosed
US-20110136866-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-06-09 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 (4 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-10034476-B2 Insecticidal phenyl-or pyridyl-piperdine compounds ACHE, CHRM1, CHRM2 DRD2 377/4885DRD4 795/4885DRD3 573/4885
US-20130317062-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 DRD2 377/4885DRD4 795/4885DRD3 573/4885
US-20110136866-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 DRD2 336/4885DRD4 666/4885DRD3 533/4885
US-20170347650-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 DRD2 377/4885DRD4 795/4885DRD3 573/4885

“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.