SCHEMBL3563606

SCHEMBL3563606

N#CC1(c2ncccc2Br)CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SPR P35270 2/20 0.36
F11 P03951 4/20 0.36
KEAP1 Q14145 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PRKCA P17252 1/20 0.34
PTPN2 P17706 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1A P35348 1/20 0.34
CHRM4 P08173 1/20 0.33
CHRM2 P08172 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 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
SCHEMBL3567709 0.86 F11 (0.41) CA12CA1CA2CA9CA7
SCHEMBL3051647 0.83 POLB (0.47)
SCHEMBL29425051 0.82 KEAP1 (0.41) KEAP1
SCHEMBL22615424 0.82 KEAP1 (0.41) KEAP1
SCHEMBL20511866 0.80 CA12 (0.40) CA12CA1CA2CA9CA7
SCHEMBL25230353 0.79 KEAP1 (0.40) KEAP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29387289 0.79 KEAP1 (0.40) KEAP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1660328 0.79 CA12 (0.45) CA12CA1CA2CA9CA7
SCHEMBL760029 0.78 HSD17B10 (0.38) CA12CA1CA2CA9SPR
SCHEMBL761722 0.77 PRKCA (0.51) CA12CA1CA2CA9CA7

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 CA12 4864/4885CA1 4422/4885CA2 3753/4885

“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.