SCHEMBL5399360

SCHEMBL5399360

B.CC(C)NC(C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
ACP3 P15309 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
SMPD1 P17405 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
CASR P41180 1/20 0.47

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
Benzene SCHEMBL10772069 0.97 SIGMAR1 (0.57) SIGMAR1ACP3GAAL3MBTL1CYP3A4
SCHEMBL8433689 0.97 SIGMAR1 (0.57) SIGMAR1ACP3GAAL3MBTL1CYP3A4
SCHEMBL8433113 0.97 SIGMAR1 (0.57) SIGMAR1ACP3GAAL3MBTL1CYP3A4
SCHEMBL278474 0.97 SIGMAR1 (0.57) SIGMAR1ACP3GAAL3MBTL1CYP3A4
SCHEMBL283979 0.87 SIGMAR1 (0.61) SIGMAR1ACP3GAAL3MBTL1CYP3A4
SCHEMBL30763462 0.87 SIGMAR1 (0.61) SIGMAR1ACP3GAAL3MBTL1CYP3A4
SCHEMBL3749295 0.87 SIGMAR1 (0.61) SIGMAR1ACP3GAAL3MBTL1CYP3A4
SCHEMBL8437895 0.87 SIGMAR1 (0.61) SIGMAR1ACP3GAAL3MBTL1CYP3A4
SCHEMBL1200137 0.87 SIGMAR1 (0.61) SIGMAR1ACP3GAAL3MBTL1CYP3A4
SCHEMBL26130571 0.87 SIGMAR1 (0.61) SIGMAR1ACP3GAAL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179940-B2 (Aryl)(amino) borane compounds, method for preparing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-02-20 US disclosed
EP-1458729-B1 (ARYL) (AMINO) BORANE COMPOUNDS, METHOD FOR PREPARING SAME CENTRE NAT RECH SCIENT (FR) 2006-03-08 EP disclosed
US-20050107633-A1 (Aryl)(amino) borane compounds, method for preparing same UNIVERSITE DE RENNES (FR) 2005-05-19 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 (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-20050107633-A1 (Aryl)(amino) borane compounds, method for preparing same AHR, NR1H2, CYP11B2 SIGMAR1 131/4885ACP3 4368/4885GAA 4671/4885

“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.