SCHEMBL3533638

SCHEMBL3533638

N[C@@H](c1ccccc1)C1CCCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.51
OPRM1 P35372 5/20 0.45
OPRD1 P41143 5/20 0.45
OPRK1 P41145 5/20 0.45
OPRL1 P41146 5/20 0.45
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
FAP Q12884 1/20 0.42
CYP2D6 P10635 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTR1E P28566 1/20 0.40
S1PR3 Q99500 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 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
SCHEMBL3533636 1.00 DPP4 (0.51) DPP4OPRM1OPRD1OPRK1OPRL1
SCHEMBL3533635 1.00 DPP4 (0.51) DPP4OPRM1OPRD1OPRK1OPRL1
SCHEMBL27886914 0.83 KDM4E (0.49) HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL1584931 0.83 KDM4E (0.49) HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL3540440 0.83 DPP4 (0.46) DPP4CYP2D6HTTCYP3A4LMNA
SCHEMBL5177302 0.83 DPP4 (0.46) DPP4CYP2D6HTTCYP3A4LMNA
SCHEMBL5650226 0.82 CYP3A4 (0.49) DPP4CYP2D6HTTCYP3A4CYP1A2
SCHEMBL27642873 0.82 CYP3A4 (0.49) DPP4CYP2D6HTTCYP3A4CYP1A2
SCHEMBL13403256 0.82 CYP3A4 (0.49) DPP4CYP2D6HTTCYP3A4CYP1A2
SCHEMBL2096664 0.79 AGTR2 (0.36) DPP4OPRM1OPRD1OPRK1OPRL1

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 DPP4 2819/4885OPRM1 60/4885OPRD1 28/4885

“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.