SCHEMBL3885176

SCHEMBL3885176

C[C@H](N)C1(c2ccccn2)CN(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
VNN1 O95497 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CPB2 Q96IY4 4/20 0.36
CHRM4 P08173 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL3886498 0.82 GPR119 (0.46) VNN1OPRD1OPRK1TSHRPOLB
SCHEMBL3885199 0.82 GPR119 (0.46) VNN1OPRD1OPRK1TSHRPOLB
SCHEMBL3894380 0.71 PRKCA (0.43) HSD11B1OPRM1OPRL1VNN1OPRD1
SCHEMBL3561235 0.69 PKLR (0.36) OPRL1OPRD1OPRK1USP2ALDH1A1
SCHEMBL8278472 0.69 SLC6A9 (0.50) ALDH1A1HSD17B10KDM4E
SCHEMBL3561941 0.69 SLC6A9 (0.50) ALDH1A1HSD17B10KDM4E
SCHEMBL16992546 0.68 OPRM1 (0.61) HSD11B1OPRM1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5874110 0.68 ALDH1A1 (0.35) OPRM1OPRL1OPRD1OPRK1USP2
Hydrochloric Acid SCHEMBL5874318 0.68 ALDH1A1 (0.35) OPRM1OPRL1OPRD1OPRK1USP2
SCHEMBL20558406 0.67 OPRM1 (0.42) HSD11B1OPRM1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572792-B2 Azetidine glycine transporter inhibitors MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-20080021010-A1 Azetidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2008-01-24 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-20080021010-A1 Azetidine Glycine Transporter Inhibitors SLC1A2, SLC18A2, SLC1A1 HSD11B1 1890/4885OPRM1 523/4885OPRL1 267/4885

“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.