SCHEMBL5102116

SCHEMBL5102116

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(CCCO)CN2c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 13/20 0.62
BDKRB2 P30411 1/20 0.53
CCR5 P51681 2/20 0.51
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
OPRL1 P41146 2/20 0.51
DDR1 Q08345 1/20 0.48

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
Water SCHEMBL5142066 0.99 NPC1L1 (0.61) NPC1L1BDKRB2CCR5OPRM1OPRD1
Water SCHEMBL5142065 0.99 NPC1L1 (0.61) NPC1L1BDKRB2CCR5OPRM1OPRD1
SCHEMBL8893726 0.90 NPC1L1 (0.60) NPC1L1BDKRB2CCR5OPRM1OPRD1
SCHEMBL10248371 0.89 NPC1L1 (0.59) NPC1L1BDKRB2CCR5OPRM1OPRD1
SCHEMBL318821 0.88 NPC1L1 (0.57) NPC1L1BDKRB2CCR5OPRM1OPRD1
SCHEMBL319341 0.87 NPC1L1 (0.57) NPC1L1BDKRB2CCR5OPRM1OPRD1
SCHEMBL5108734 0.87 NPC1L1 (0.57) NPC1L1BDKRB2CCR5OPRM1OPRD1
SCHEMBL1855447 0.87 NPC1L1 (0.70) NPC1L1BDKRB2OPRM1OPRK1DDR1
SCHEMBL8908168 0.86 NPC1L1 (0.56) NPC1L1BDKRB2CCR5OPRM1OPRD1
SCHEMBL5563023 0.86 NPC1L1 (0.64) NPC1L1BDKRB2CCR5OPRM1OPRD1

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
US-20080287478-A1 Nociceptin Analogues and Uses Thereof ZEALAND PHARMA A/S (DK) 2008-11-20 US disclosed
EP-1628978-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF Zealand Pharma A/S (DK) 2006-03-01 EP disclosed
WO-2004104004-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF ZEALAND PHARMA A/S (DK) 2004-12-02 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-20080287478-A1 Nociceptin Analogues and Uses Thereof OPRL1, NPSR1, OPRK1 NPC1L1 3684/4885BDKRB2 71/4885CCR5 776/4885

“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.