SCHEMBL3567709

SCHEMBL3567709

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 5/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PKLR P30613 1/20 0.36
ADRA1A P35348 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SPR P35270 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SSTR4 P31391 1/20 0.35

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
SCHEMBL3563606 0.86 CA12 (0.40) F11CA12CA1CA2CA9
SCHEMBL3555626 0.83 POLB (0.48) OPRD1
SCHEMBL20511866 0.83 CA12 (0.40) F11CA12CA1CA2CA9
SCHEMBL760029 0.81 HSD17B10 (0.38) F11CA12CA1CA2CA9
SCHEMBL30695182 0.81 NOS3 (0.39) FFAR4ALDH1A1
SCHEMBL20775175 0.81 NOS3 (0.39) FFAR4ALDH1A1
SCHEMBL18274652 0.81 F11 (0.35) F11ADRA1AFFAR4SSTR4
SCHEMBL4064856 0.80 OPRD1 (0.46) HRH3KMT2AOPRD1ALDH1A1
SCHEMBL761722 0.78 PRKCA (0.51) F11CA12CA1CA2CA9
SCHEMBL3562470 0.76 OPRL1 (0.42) PKLRSPRMEN1KMT2AOPRD1

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
EP-1729772-B1 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2016-12-07 EP 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
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 F11 4833/4885CA12 4864/4885CA1 4422/4885

“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.