SCHEMBL14600528

SCHEMBL14600528

CN[C@H](Cc1ccccc1)[C@H]1CO1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
TAAR1 Q96RJ0 4/20 0.48
SLC18A2 Q05940 1/20 0.48
SLC6A2 P23975 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL15705177 1.00 SIGMAR1 (0.48) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL12050576 1.00 SIGMAR1 (0.48) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL837472 1.00 SIGMAR1 (0.48) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL13140814 0.84 SIGMAR1 (0.38) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL13118761 0.84 SIGMAR1 (0.38) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL14479839 0.84 SIGMAR1 (0.38) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL14390775 0.82 EPHX1 (0.41) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL12327092 0.82 SIGMAR1 (0.37) SIGMAR1TAAR1SLC18A2
SCHEMBL6443708 0.79 MOGAT2 (0.38) SIGMAR1
SCHEMBL13536230 0.79 CTRB1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 SIGMAR1 4217/4885TAAR1 4780/4885SLC18A2 3090/4885

“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.