SCHEMBL3561235

SCHEMBL3561235

Cc1cccnc1C1(C(C)N)CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.36
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SPR P35270 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
SMO Q99835 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
CCR5 P51681 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3557560 0.83 POLB (0.47) OPRD1OPRK1TSHR
SCHEMBL3562470 0.78 OPRL1 (0.42) PKLROPRD1OPRK1KMT2AMEN1
SCHEMBL4054184 0.76 OPRL1 (0.36) PKLROPRD1KMT2AMEN1ALDH1A1
SCHEMBL3567709 0.75 F11 (0.41) PKLROPRD1KMT2AMEN1ALDH1A1
SCHEMBL30695194 0.70 HSD11B1 (0.36) PKLRALDH1A1HPGDHSD17B10SPR
SCHEMBL3885176 0.69 HSD11B1 (0.39) OPRD1OPRK1ALDH1A1HPGDHSD17B10
SCHEMBL16835951 0.69 AVPR1A (0.53) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL23309823 0.68 SPR (0.35) OPRD1OPRK1KMT2AMEN1ALDH1A1
SCHEMBL20339483 0.68 TRPV1 (0.61) KMT2AALDH1A1
SCHEMBL5732611 0.68 PKLR (0.51) PKLRKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729772-B1 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2016-12-07 EP disclosed
CN-1933836-B Heteroaryl piperidine glycine transporter inhibitors MERCK & CO INC 2011-08-17 CN disclosed
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 US disclosed
EP-1729772-A4 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-05-27 EP disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
CN-1933836-A Heteroaryl piperidine glycine transporter inhibitors MERCK & CO INC (US) 2007-03-21 CN disclosed
EP-1729772-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck and Co., Inc. (US) 2006-12-13 EP disclosed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 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-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 PKLR 1876/4885OPRD1 462/4885OPRK1 485/4885

“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.