SCHEMBL3540701

SCHEMBL3540701

O=C(O)N1CCC[C@H]1Cc1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.43
HRH3 Q9Y5N1 4/20 0.43
AKR1B1 P15121 1/20 0.42
SCD5 Q86SK9 1/20 0.42
DPP4 P27487 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MPO P05164 2/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL17092974 0.91 SCD5 (0.45) ALDH1A1HRH3SCD5DPP4GABRA1
SCHEMBL908981 0.81 SCD5 (0.57) HRH3SCD5DPP4GABRA1GABRG2
SCHEMBL23459127 0.81 SCD5 (0.57) HRH3SCD5DPP4GABRA1GABRG2
SCHEMBL1843455 0.80 OPRD1 (0.46) ALDH1A1MEN1NPC1KMT2AHSD11B1
SCHEMBL4629395 0.77 HSD11B1 (0.61) SCD5DPP4GABRA1GABRG2GABRB3
SCHEMBL4964339 0.77 HSD11B1 (0.61) SCD5DPP4GABRA1GABRG2GABRB3
SCHEMBL4292794 0.76 CA1 (0.54) ALDH1A1KDM4EDPP4SIGMAR1MPO
SCHEMBL28618485 0.76 KMT2A (0.50) ALDH1A1KDM4ESIGMAR1MEN1RAB9A
Hydrochloric Acid SCHEMBL29238125 0.76 HSD11B1 (0.60) SCD5DPP4GABRA1GABRG2GABRB3
SCHEMBL2397166 0.74 ALDH1A1 (0.43) ALDH1A1POLBDPP4MEN1NPC1

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
EP-1680400-B1 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) 2007-06-06 EP 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 ALDH1A1 783/4885POLB 2623/4885KDM4E 241/4885

“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.