Sugi Predict

Sugi Predict / Compounds / SCHEMBL1835462

SCHEMBL1835462

SCHEMBL1835462

Cc1nn(-c2c(F)cccc2CN(C(=O)OC(C)(C)C)C2CC2)cc1C=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ OPRL1 P41146 4/20 0.34
▸ REN P00797 3/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ HTR2A P28223 3/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ OPRM1 P35372 1/20 0.32

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
SCHEMBL1808416 0.88 OPRL1 (0.37) ALDH1A1OPRL1RENRAB9ATSHR
SCHEMBL1810586 0.87 OPRL1 (0.37) ALDH1A1OPRL1RENNR1H4HTR2A
SCHEMBL1803876 0.84 ALDH1A1 (0.39) ALDH1A1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL27888253 0.82 ALDH1A1 (0.37) ALDH1A1RENNR1H4HTR2ARAB9A
SCHEMBL11991804 0.81 OPRL1 (0.35) ALDH1A1OPRL1RAB9ATSHR
SCHEMBL11972554 0.77 OPRL1 (0.43) ALDH1A1OPRL1
SCHEMBL11972841 0.74 OPRL1 (0.41) ALDH1A1OPRL1RENRAB9AKCNH2
SCHEMBL1808442 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1805377 0.72 ERN1 (0.40) ALDH1A1OPRL1RAB9ATHRB
SCHEMBL11972717 0.71 ALDH1A1 (0.34) ALDH1A1OPRL1RAB9A

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 7 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-2501704-B1 Spiropiperidine compounds as oral-1 receptor antagagonisten LILLY CO ELI (US) 2013-09-18 — — EP disclosed
EP-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 — — EP disclosed
US-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-23 — — US disclosed
US-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-23 — — US disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 — — WO disclosed
WO-2011060217-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-20120214784-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS OPRL1, ORMDL3, OGFRL1 ALDH1A1 509/4885OPRL1 1/4885REN 918/4885

“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.