SCHEMBL1753486

SCHEMBL1753486

CCOC(=O)[C@H]1CC[C@](C(=O)OCC)(c2ccccc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.44
OPRD1 P41143 5/20 0.43
OPRK1 P41145 5/20 0.43
SLC22A1 O15245 2/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
KCNA3 P22001 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1754825 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10107562 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1753436 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1754839 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1754813 0.92 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10107568 0.92 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2106137 0.92 SIGMAR1 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10067862 0.92 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1753359 0.92 SIGMAR1 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1753333 0.92 SIGMAR1 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158783-B2 MTP inhibiting tetrahydro-naphthalene-1-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-8114880-B2 Piperidine or piperazine substituted tetrahydro-naphthalene-1-carboxylic acid MTP inhibiting compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-21 US disclosed
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 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 (2 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-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES PNLIP, APOB, MTPN OPRM1 3470/4885OPRD1 2738/4885OPRK1 3366/4885
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS PNLIP, APOB, LIPC OPRM1 2897/4885OPRD1 2446/4885OPRK1 3158/4885

“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.