SCHEMBL1805412

SCHEMBL1805412

Cc1nn(-c2c(F)cccc2-c2nccn2C)cc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.37
OPRL1 P41146 4/20 0.36
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
MC4R P32245 2/20 0.36
IDO1 P14902 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HDAC4 P56524 1/20 0.33
KCNN4 O15554 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL1809528 0.81 ALKBH1 (0.39) BRD4LMNAHTR2CHTR2AIDO1
SCHEMBL27888223 0.81 MC4R (0.39) BRD4LMNAHTR2CHTR2AMC4R
SCHEMBL1806188 0.80 BRD4 (0.39) BRD4LMNAHTR2CHTR2AMC4R
SCHEMBL1806223 0.79 JMJD6 (0.41) BRD4LMNAALDH1A1POLBNPSR1
SCHEMBL27871912 0.75 OPRL1 (0.40) OPRL1MEN1KMT2AALDH1A1NPSR1
SCHEMBL1813166 0.72 OPRL1 (0.49) OPRL1SYKKCNH2MEN1KMT2A
SCHEMBL1808960 0.72 OPRL1 (0.42) OPRL1KCNN4MEN1KMT2ANPSR1
SCHEMBL11972686 0.71 OPRL1 (0.40) OPRL1MEN1KMT2AALDH1A1NPSR1
SCHEMBL6911325 0.70 HSD11B1 (0.47) BRD4LMNAHTR2CHTR2AMC4R
SCHEMBL14960634 0.70 BRD4 (0.53) BRD4LMNAHTR2CHTR2AADORA2A

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-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
CN-102666550-A Spiropiperidine compounds as ORL-1 receptor antagonists LILLY CO ELI 2012-09-12 CN 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

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 BRD4 2575/4885LMNA 1306/4885OPRL1 1/4885

“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.