SCHEMBL1807709

SCHEMBL1807709

O=C(O)N1CCC2(CC1)OCCc1ccsc12

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.53
RORC P51449 1/20 0.50
SIGMAR1 Q99720 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL1807425 0.81 OPRL1 (0.47) OPRL1RORC
SCHEMBL11949323 0.81 RORC (0.55) OPRL1RORCSIGMAR1TAAR1
SCHEMBL31252999 0.79 RORC (0.51) OPRL1RORCSIGMAR1TAAR1
SCHEMBL31387399 0.79 OPRL1 (0.47) OPRL1RORCSIGMAR1TAAR1
SCHEMBL25356792 0.79 OPRL1 (0.47) OPRL1RORCSIGMAR1TAAR1
SCHEMBL25359159 0.79 OPRL1 (0.47) OPRL1RORCSIGMAR1TAAR1
SCHEMBL25357972 0.79 OPRL1 (0.47) OPRL1RORCSIGMAR1TAAR1
SCHEMBL18579655 0.79 OPRL1 (0.45) OPRL1RORCSIGMAR1TAAR1
SCHEMBL31243799 0.78 OPRL1 (0.50) OPRL1RORCSIGMAR1
SCHEMBL20487669 0.77 OPRL1 (0.39) OPRL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
EP-2501703-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 US disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed
WO-2011060035-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 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-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OXER1, OGFRL1, ORMDL3 OPRL1 4/4885RORC 932/4885SIGMAR1 51/4885

“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.