SCHEMBL4454820

SCHEMBL4454820

C[N+](C)(C)CCCOC(=O)c1ccc(N)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
CYP1A2 P05177 4/20 0.69
CYP3A4 P08684 3/20 0.69
TSHR P16473 3/20 0.69
CYP2C19 P33261 2/20 0.69
CYP2C9 P11712 1/20 0.69
PDE4D Q08499 1/20 0.69
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
MAPT P10636 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP2D6 P10635 3/20 0.58
SCN1A P35498 2/20 0.58
SCN2A Q99250 2/20 0.58
SCN3A Q9NY46 2/20 0.58
GAA P10253 2/20 0.58
CHRM2 P08172 1/20 0.58
HTR1A P08908 1/20 0.58
DRD3 P35462 1/20 0.58
SLC6A3 Q01959 1/20 0.58

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
Hydrochloric Acid SCHEMBL11394506 0.89 LMNA (0.61) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL13601336 0.85 BCHE (0.52) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL48450 0.84 LMNA (0.79) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL561945 0.84 NPC1 (0.80) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL4464262 0.84 BCHE (0.51) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL13601161 0.84 BCHE (0.51) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL13601165 0.83 TDP1 (0.70) LMNACYP1A2TSHRCYP2C19ALDH1A1
SCHEMBL4329445 0.83 NPC1 (0.83) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL4334904 0.83 NPC1 (0.83) LMNACYP1A2CYP3A4TSHRCYP2C19
Water SCHEMBL21160825 0.83 LMNA (0.77) LMNACYP1A2CYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452425-B2 Compositions containing ionic liquids and their uses, in particular in organic synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-09-27 US disclosed
US-9452425-B2 Compositions containing ionic liquids and their uses, in particular in organic synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-09-27 US disclosed
US-20090326228-A1 COMPOSITIONS CONTAINING IONIC LIQUIDS AND THEIR USES, IN PARTICULAR IN ORGANIC SYNTHESIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-12-31 US disclosed
US-20090326228-A1 COMPOSITIONS CONTAINING IONIC LIQUIDS AND THEIR USES, IN PARTICULAR IN ORGANIC SYNTHESIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-12-31 US disclosed
US-20060128996-A1 Compositions containing Ionic liquids and uses thereof, especially in organic synthesis UNIVERSITE DE RENNES 1 (FR) 2006-06-15 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-20060128996-A1 Compositions containing Ionic liquids and uses thereof, especially in organic synthesis F12, ANXA1, OLA1 LMNA 197/4885CYP1A2 782/4885CYP3A4 1763/4885
US-20090326228-A1 COMPOSITIONS CONTAINING IONIC LIQUIDS AND THEIR USES, IN PARTICULAR IN ORGANIC SYNTHESIS F12, ANXA1, F11 LMNA 110/4885CYP1A2 952/4885CYP3A4 2104/4885

“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.