SCHEMBL13403264

SCHEMBL13403264

O=C1OC(c2ccccc2)C2CCCCCN12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC18A3 Q16572 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11131926 0.98 SMN1; SMN2 (0.47) SMN1; SMN2SCN1ASCN2ASCN3AGAA
SCHEMBL11131918 0.98 SMN1; SMN2 (0.47) SMN1; SMN2SCN1ASCN2ASCN3AGAA
SCHEMBL11131933 0.98 SMN1; SMN2 (0.47) SMN1; SMN2SCN1ASCN2ASCN3AGAA
SCHEMBL18577147 0.84 SLC18A3 (0.39) SMN1; SMN2ALDH1A1SLC18A3NPSR1MEN1
SCHEMBL25971632 0.79 SLC6A3 (0.37) ALDH1A1SLC18A3NPSR1MEN1KMT2A
SCHEMBL25971633 0.79 SLC6A3 (0.37) ALDH1A1SLC18A3NPSR1MEN1KMT2A
SCHEMBL3073965 0.77 DDB1 (0.36) SMN1; SMN2GAAALDH1A1DDB1CRBN
SCHEMBL3073967 0.77 DDB1 (0.36) SMN1; SMN2GAAALDH1A1DDB1CRBN
SCHEMBL3073962 0.77 DDB1 (0.36) SMN1; SMN2GAAALDH1A1DDB1CRBN
SCHEMBL25988650 0.76 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10NPSR1TSHR

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-7700585-B2 Derivatives of N-[phenyl(pyrrolidine-2-YL)methyl]benzamide and N-[(azepan-2-YL) phenylmethyl]benzamide, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2010-04-20 US disclosed
US-20070208006-A1 DERIVATIVES OF N-[PHENYL(PYRROLIDINE-2-YL)METHYL]BENZAMIDE AND N-[(AZEPAN-2-YL)PHENYLMETHYL]BENZAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-09-06 US disclosed
US-7226917-B2 Derivatives of N-[phenyl(pyrrolidine-2-yl)methyl]benzamide and N-[(azepan-2-yl)phenylmethyl]benzamide, preparation, and use in treatment of schizophrenia SANOFI-AVENTIS (FR) 2007-06-05 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-20070208006-A1 DERIVATIVES OF N-[PHENYL(PYRROLIDINE-2-YL)METHYL]BENZAMIDE AND N-[(AZEPAN-2-YL)PHENYLMETHYL]BENZAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SNCA, CHRNA10, CHRNA5 SMN1; SMN2 16/4885SCN1A 39/4885SCN2A 30/4885

“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.