SCHEMBL12338068

SCHEMBL12338068

CC(C)N1CN(c2ccccc2)C2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.59
OPRD1 P41143 1/20 0.59
OPRK1 P41145 1/20 0.59
OPRL1 P41146 1/20 0.59
NPC1L1 Q9UHC9 8/20 0.56
CCR5 P51681 2/20 0.49
USP30 Q70CQ3 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
DDR1 Q08345 3/20 0.43
BDKRB2 P30411 1/20 0.43

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
SCHEMBL7845129 0.85 NPC1L1 (0.58) NPC1L1CCR5USP30GPR119ATM
SCHEMBL17140692 0.85 NPC1L1 (0.58) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318404 0.85 NPC1L1 (0.53) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318405 0.85 NPC1L1 (0.53) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318942 0.85 NPC1L1 (0.53) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL20187075 0.83 DDR1 (0.62) NPC1L1CCR5DDR1
SCHEMBL12315539 0.82 MC4R (0.49) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL319067 0.82 NPC1L1 (0.55) OPRD1OPRK1NPC1L1CCR5USP30
SCHEMBL1855447 0.82 NPC1L1 (0.70) OPRM1OPRK1NPC1L1DDR1BDKRB2
SCHEMBL5563023 0.81 NPC1L1 (0.64) OPRM1OPRD1OPRK1OPRL1NPC1L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263608-B2 Melanocortin receptor-specific spiro-piperidine compounds PALATIN TECHNOLOGIES, INC. (US) 2012-09-11 US disclosed
US-20110178080-A1 Melanocortin Receptor-Specific Spiro-Piperidine Compounds PALATIN TECHNOLOGIES, INC. (US) 2011-07-21 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-20110178080-A1 Melanocortin Receptor-Specific Spiro-Piperidine Compounds MC1R, MC5R, MC3R OPRM1 59/4885OPRD1 21/4885OPRK1 29/4885

“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.