SCHEMBL1808233

SCHEMBL1808233

CC(C)(C)OC(=O)N1CCC2(CC1)OCC(F)(F)c1cc(F)sc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AVPR1A P37288 2/20 0.38
HDAC2 Q92769 2/20 0.38
NAMPT P43490 2/20 0.37
CYP2C9 P11712 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP30 Q70CQ3 1/20 0.36
SCD5 Q86SK9 1/20 0.36
OPRL1 P41146 1/20 0.35
HDAC4 P56524 1/20 0.35
TACR1 P25103 1/20 0.35
POLB P06746 1/20 0.35
PDK2 Q15119 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL1805397 0.88 OPRL1 (0.43) GPR119AVPR1AOPRL1POLB
SCHEMBL1808216 0.88 HDAC1 (0.39) GPR119HDAC1HDAC8HDAC6AVPR1A
SCHEMBL1806071 0.84 OPRL1 (0.40) OPRL1
SCHEMBL1805309 0.80 OPRL1 (0.48) OPRL1
SCHEMBL25358889 0.76 POLB (0.39) GPR119HDAC1HDAC8HDAC6AVPR1A
SCHEMBL26064323 0.74 ACACB (0.36) AVPR1AOPRL1ACACB
SCHEMBL31387368 0.73 OPRL1 (0.39) OPRL1ACACB
SCHEMBL26064325 0.73 OPRL1 (0.39) OPRL1ACACB
SCHEMBL25359460 0.72 AVPR1A (0.40) GPR119HDAC1HDAC8HDAC6AVPR1A
SCHEMBL25357357 0.72 AVPR1A (0.40) GPR119HDAC1HDAC8HDAC6AVPR1A

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-B1 Spiropiperidine compounds as oral-1 receptor antagagonisten LILLY CO ELI (US) 2013-09-18 EP disclosed
EP-2501703-B1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2013-09-18 EP disclosed
US-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-23 US disclosed
US-8232289-B2 Spiropiperidine compounds as ORL-1 receptor antagonists ELI LILLY AND COMPANY (US) 2012-07-31 US disclosed
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 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 (2 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-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OPRL1, ORMDL3, OGFRL1 GPR119 52/4885HDAC1 275/4885HDAC8 1399/4885
US-20110118251-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OXER1, OGFRL1, ORMDL3 GPR119 174/4885HDAC1 1010/4885HDAC8 2385/4885

“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.