SCHEMBL1807157

SCHEMBL1807157

COC(c1cccnc1Br)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 1/20 0.40
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
BRD4 O60885 1/20 0.32
IDO1 P14902 2/20 0.32
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL10404286 0.75 TRIM24 (0.38) TRIM24TRIM33
SCHEMBL26685364 0.71 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3IDO1
SCHEMBL14992193 0.71 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3BRD4
SCHEMBL5700472 0.69 GABRA1 (0.43) SLC6A2TRIM24TRIM33
SCHEMBL27865426 0.67 TRIM24 (0.41) TRIM24TRIM33
SCHEMBL14769877 0.67 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL16838712 0.67 TRIM24 (0.43) TRIM24TRIM33
SCHEMBL29743319 0.67 TRIM24 (0.43) TRIM24TRIM33
SCHEMBL23489987 0.66 TRIM24 (0.39) SLC6A2TRIM24TRIM33IDO1
SCHEMBL3101566 0.66 TRIM24 (0.39) SLC6A2TRIM24TRIM33IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501703-B1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2013-09-18 EP 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 (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 SLC6A4 1542/4885SLC6A2 1264/4885SLC6A3 1115/4885

“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.