SCHEMBL3538359

SCHEMBL3538359

O=C(NC(c1ccccc1)C1CCCCCN1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.60
SLC6A3 Q01959 8/20 0.54
SLC6A2 P23975 6/20 0.54
SLC6A4 P31645 4/20 0.54
DHFR P00374 1/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GPR88 Q9GZN0 1/20 0.49
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1798157 0.99 SLC6A9 (0.61) SLC6A9SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL3538639 0.95 SLC6A9 (0.56) SLC6A9SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL3536275 0.82 GPR88 (0.57) SLC6A9SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL1795284 0.80 SLC6A9 (0.76) SLC6A9SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL1795282 0.80 SLC6A9 (0.76) SLC6A9SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL26840798 0.78 SLC6A9 (0.73) SLC6A9SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL3289063 0.77 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4589243 0.76 SLC6A9 (1.00) SLC6A9
SCHEMBL4589246 0.76 SLC6A9 (1.00) SLC6A9
SCHEMBL1689516 0.76 SLC6A9 (1.00) SLC6A9

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
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-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
CN-1882534-A Derivatives of N- [ phenyl (2-pyrrolidinyl) methyl ] benzamide and N- [ (2-azepanyl) phenylmethyl ] benzamide, preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2006-12-20 CN disclosed
US-20060223802-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) 2006-10-05 US disclosed
EP-1680400-A2 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) 2006-07-19 EP disclosed
WO-2005037785-A2 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) 2005-04-28 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 (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-20060223802-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 SLC6A9 3907/4885SLC6A3 1410/4885SLC6A2 1721/4885

“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.