SCHEMBL5219633

SCHEMBL5219633

O=C(Nc1ccc(Br)cc1)N1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.73
SMN1; SMN2 Q16637 4/20 0.71
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
ALDH1A1 P00352 2/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
MAPT P10636 2/20 0.68
HPGD P15428 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
TP53 P04637 1/20 0.66
ESR2 Q92731 1/20 0.66
BLM P54132 1/20 0.66
MLYCD O95822 1/20 0.62
TSHR P16473 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL30014222 0.88 RAB9A (0.83) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25681592 0.85 GAA (1.00) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL31637520 0.84 RAB9A (0.96) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL28733081 0.84 ALDH1A1 (0.58) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8769380 0.83 GAA (0.73) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10594359 0.83 GAA (0.73) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL20236734 0.83 SMN1; SMN2 (1.00) GAASMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL5852053 0.83 GAA (0.73) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5852049 0.83 GAA (0.73) GAASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2475796 0.83 GAA (0.73) GAASMN1; SMN2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429607-B1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-04-04 EP disclosed
US-7074785-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-07-11 US disclosed
US-20060142369-A1 Delta 1-pyrrolines used as pesticides SEITZ THOMAS 2006-06-29 US disclosed
US-20050014650-A1 Delta 1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2005-01-20 US disclosed
EP-1429607-A1 DELTA 1-PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2004-06-23 EP disclosed
WO-2003024220-A1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-03-27 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 (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-20060142369-A1 Delta 1-pyrrolines used as pesticides DDT, CHRM1, OPRD1 GAA 3835/4885SMN1; SMN2 2977/4885RAB9A 562/4885
US-20050014650-A1 Delta 1-pyrrolines used as pesticides CHRM1, DDT, CHRND GAA 3965/4885SMN1; SMN2 2621/4885RAB9A 664/4885

“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.