SCHEMBL16503310

SCHEMBL16503310

O[C@@H]1CCCN(c2ccc(F)cn2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 4/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.45
▸ SLC6A9 P48067 5/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ GRM1 Q13255 2/20 0.44
▸ GPR119 Q8TDV5 1/20 0.42
▸ RET P07949 2/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ UBE2T Q9NPD8 1/20 0.41

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
SCHEMBL10058606 1.00 SMPD3 (0.46) SMPD3HRH3SLC6A9JAK2GRM1
SCHEMBL23246758 0.82 PDE10A (0.47) SMPD3JAK2RETADRA1AUBE2T
SCHEMBL15205869 0.82 PDE10A (0.47) SMPD3JAK2RETADRA1AUBE2T
SCHEMBL15205870 0.82 PDE10A (0.47) SMPD3JAK2RETADRA1AUBE2T
SCHEMBL2791625 0.82 SMPD3 (0.52) SMPD3JAK2RETADRA1AUBE2T
SCHEMBL19775600 0.82 ADRA1A (0.52) HRH3SLC6A9GRM1GPR119ADRA1A
SCHEMBL18022508 0.82 ADRA1A (0.52) HRH3SLC6A9GRM1GPR119ADRA1A
SCHEMBL22581845 0.81 GPR119 (0.52) SMPD3HRH3SLC6A9GRM1GPR119
SCHEMBL19574003 0.80 HDAC6 (0.47) SMPD3SLC6A9KMT2A
SCHEMBL20180775 0.80 HDAC6 (0.47) SMPD3SLC6A9KMT2A

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-20110312995-A1 BRIDGED AND FUSED HETEROCYCLIC ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2011-12-22 — — US disclosed
US-20110312995-A1 BRIDGED AND FUSED HETEROCYCLIC ANTIDIABETIC COMPOUNDS SCHERING CORPORATION (US) 2011-12-22 — — 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-20110312995-A1 BRIDGED AND FUSED HETEROCYCLIC ANTIDIABETIC COMPOUNDS GPR119, FFAR2, FFAR1 SMPD3 894/4885HRH3 2067/4885SLC6A9 2227/4885

“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.

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