SCHEMBL3559807

SCHEMBL3559807

N#CC1(c2cccc(F)n2)CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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 0.35
PKLR P30613 1/20 0.35
F11 P03951 3/20 0.35
DGAT2 Q96PD7 1/20 0.35
PRKCA P17252 1/20 0.34
PTPN2 P17706 1/20 0.34
HTR7 P34969 1/20 0.34
SPR P35270 4/20 0.34
CHRM4 P08173 1/20 0.34
OPRL1 P41146 1/20 0.33
OPRD1 P41143 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
SCHEMBL23089175 0.84 CA12 (0.39) CA12CA1CA2CA9CA7
SCHEMBL3566914 0.84 CA12 (0.39) CA12CA1CA2CA9CA7
SCHEMBL759250 0.84 CA12 (0.39) CA12CA1CA2CA9CA7
SCHEMBL3561664 0.82 GPR119 (0.41)
SCHEMBL18274666 0.80 F11 (0.35) F11OPRL1
SCHEMBL23647368 0.79 CA12 (0.43) CA12CA1CA2CA9CA7
SCHEMBL761722 0.78 PRKCA (0.51) CA12CA1CA2CA9CA7
SCHEMBL2560399 0.78 MBOAT4 (0.38)
SCHEMBL3557514 0.76 OPRL1 (0.42) PKLRSPROPRL1OPRD1
SCHEMBL5381132 0.75 CA12 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 US disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 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-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.