SCHEMBL91504

SCHEMBL91504

CCCC(=O)Nc1cccc(CC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNA4 P43681 2/20 0.54
ADORA1 P30542 6/20 0.49
ADORA3 P0DMS8 6/20 0.49
ADORA2A P29274 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SYK P43405 1/20 0.45
MAPK1 P28482 1/20 0.45
ADORA2B P29275 1/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL91555 0.89 NPC1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL20935230 0.89 ADORA3 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL821743 0.88 SMN1; SMN2 (0.61) ADORA1ADORA3ADORA2ASMN1; SMN2MAPK1
SCHEMBL6361201 0.87 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL3111821 0.83 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL7895323 0.81 MAPK8 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL10082887 0.81 SMN1; SMN2 (0.77) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL28734996 0.81 XIAP (0.56) ADORA1ADORA3ADORA2ASMN1; SMN2MAPK1
SCHEMBL23619457 0.80 SMN1; SMN2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL10085449 0.80 KMT2A (0.59) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-8119646-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 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 (2 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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 CHRNB2 4722/4885CHRNB4 4735/4885CHRNA3 4291/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 CHRNB2 4648/4885CHRNB4 4707/4885CHRNA3 4123/4885

“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.