SCHEMBL4516639

SCHEMBL4516639

CC(C)CCCN1C=NCC1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.33

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
SCHEMBL20138340 0.93 LMNA (0.31)
SCHEMBL29246279 0.93 LMNA (0.31)
SCHEMBL13556973 0.88 SMN1; SMN2 (0.32)
SCHEMBL19706407 0.85
SCHEMBL22109649 0.85
SCHEMBL20686889 0.82
SCHEMBL1626873 0.81
SCHEMBL8810310 0.79
SCHEMBL6574015 0.78
SCHEMBL168017 0.76 GNAI3 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023227795-A1 BIOCATALYSTS FOR ORGANIC SYNTHESIS ENGINZYME AB (SE) 2023-11-30 WO disclosed
WO-2023229519-A1 BATCH PROCESS FOR ENZYMATIC MODIFICATION OF LIPIDS BUNGE SA (CH) 2023-11-30 WO disclosed
EP-3229953-B1 COATING METHOD USING ORGANOSILICA MATERIAL, COATED SUBSTRATE, AND GAS SEPARATION PROCESS EMPLOYING SAID SUBSTRATE EXXONMOBIL RES & ENG CO (US) 2019-07-03 EP disclosed
EP-3229952-B1 ORGANOSILICA MATERIALS EXXONMOBIL RES & ENG CO (US) 2019-01-23 EP disclosed
US-20170334823-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-23 US disclosed
US-20090036718-A1 USE OF A COMPOSITION OF AN IONIC NATURE AS A SUBSTITUTION REAGENT, A COMPOSITION CONSTITUTING A FLUORINATION REAGENT AND A METHOD USING SAME RHODIA CHIMIE (FR) 2009-02-05 US disclosed
US-7393980-B2 Use of a composition of an ionic nature as a substrate reagent, a composition constituting a fluorination reagent and a method using same RHODIA CHIMIE (FR) 2008-07-01 US disclosed
US-20040144947-A1 Use of a composition of an ionic nature as a substrate reagent, a composition constituting a fluorination reagent and a method using same RHODIA CHIMIE (FR) 2004-07-29 US disclosed
EP-1401844-A2 USE OF A COMPOSITION OF AN IONIC NATURE AS A SUBSTRATE REAGENT, A COMPOSITION CONSTITUTING A FLUORINATION REAGENT AND A METHOD USING SAME RHODIA CHIMIE (FR) 2004-03-31 EP disclosed
WO-2002092608-A2 USE OF A COMPOSITION OF AN IONIC NATURE AS A SUBSTRATE REAGENT, A COMPOSITION CONSTITUTING A FLUORINATION REAGENT AND A METHOD USING SAME RHODIA CHIMIE (FR) 2002-11-21 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-20040144947-A1 Use of a composition of an ionic nature as a substrate reagent, a composition constituting a fluorination reagent and a method using same INF2, SNW1, AFF2 GBA1 402/4885
US-20090036718-A1 USE OF A COMPOSITION OF AN IONIC NATURE AS A SUBSTITUTION REAGENT, A COMPOSITION CONSTITUTING A FLUORINATION REAGENT AND A METHOD USING SAME H1-10, H1-3, H1-0 GBA1 2862/4885
US-20170334823-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS GK, ADH1A, ADH5 GBA1 1942/4885

“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.