SCHEMBL1764599

SCHEMBL1764599

CC1(C)OC[C@H](C(=O)O)O1.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.38
HCRTR1 O43613 10/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
TBXA2R P21731 1/20 0.34
CA2 P00918 2/20 0.33
APLNR P35414 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TBXAS1 P24557 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
SCHEMBL1761274 1.00 HCRTR2 (0.38) HCRTR2HCRTR1L3MBTL1TBXA2RCA2
SCHEMBL1030223 0.98 HCRTR2 (0.39) HCRTR2HCRTR1L3MBTL1TBXA2RCA2
SCHEMBL1030224 0.98 HCRTR2 (0.39) HCRTR2HCRTR1L3MBTL1TBXA2RCA2
SCHEMBL2038232 0.98 HCRTR2 (0.39) HCRTR2HCRTR1L3MBTL1TBXA2RCA2
SCHEMBL9162473 0.96 HCRTR2 (0.38) HCRTR2HCRTR1L3MBTL1TBXA2RCA2
SCHEMBL5789689 0.96 HCRTR2 (0.38) HCRTR2HCRTR1L3MBTL1TBXA2RCA2
SCHEMBL9154429 0.96 HCRTR2 (0.38) HCRTR2HCRTR1L3MBTL1TBXA2RCA2
Acetic Acid SCHEMBL21617326 0.96 HCRTR2 (0.38) HCRTR2HCRTR1L3MBTL1TBXA2RCA2
Hydrochloric Acid SCHEMBL5195834 0.96 HCRTR2 (0.38) HCRTR2HCRTR1L3MBTL1TBXA2RCA2
SCHEMBL9162631 0.96 HCRTR2 (0.38) HCRTR2HCRTR1L3MBTL1TBXA2RCA2

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-20110124677-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-05-26 US disclosed
EP-2001876-B1 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-05-18 EP 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-20110124677-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRL1, OPRK1 HCRTR2 71/4885HCRTR1 95/4885L3MBTL1 2659/4885

“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.