SCHEMBL13859196

SCHEMBL13859196

Cc1cc(C(C)O)cnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.33
CHRNA4 P43681 9/20 0.33
CHRNB4 P30926 8/20 0.33
CHRNA3 P32297 8/20 0.33
APLNR P35414 1/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12190544 0.83 LMNA (0.34) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL30388361 0.82 ALDH1A1 (0.39) P2RX7ALDH1A1
SCHEMBL2420286 0.82 ALDH1A1 (0.39) P2RX7ALDH1A1
SCHEMBL1549298 0.82 ALDH1A1 (0.39) P2RX7ALDH1A1
SCHEMBL2420288 0.82 ALDH1A1 (0.39) P2RX7ALDH1A1
SCHEMBL24122821 0.78 CYP11B2 (0.37) P2RX7
SCHEMBL22978658 0.78 S100A9 (0.41) CHRNB2CHRNA4ALDH1A1
SCHEMBL22990521 0.78 P2RX7 (0.30) P2RX7
SCHEMBL29698274 0.78 S100A9 (0.41) CHRNB2CHRNA4ALDH1A1
SCHEMBL10325651 0.78 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1

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
EP-2709983-B1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-18 EP disclosed
EP-2709983-B1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-18 EP disclosed
US-8895587-B2 Insecticidal compounds based on arylthioacetamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2014-11-25 US disclosed
US-8895587-B2 Insecticidal compounds based on arylthioacetamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2014-11-25 US disclosed
US-8895587-B2 Insecticidal compounds based on arylthioacetamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2014-11-25 US disclosed
US-20140107161-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-04-17 US disclosed
US-20140107161-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-04-17 US disclosed
US-20140107161-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-04-17 US disclosed
EP-2709983-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES Syngenta Participations AG (CH) 2014-03-26 EP disclosed
WO-2012156400-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-11-22 WO disclosed
WO-2012156400-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-11-22 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 (1 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-20140107161-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES NAT1, ACHE, CHRM1 CHRNB2 1427/4885CHRNA4 965/4885CHRNB4 1131/4885

“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.