SCHEMBL10107457

SCHEMBL10107457

CCOC(=O)[C@@H]1CCC(C(N)=O)(c2ccccc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
OPRM1 P35372 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
SLC22A1 O15245 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL10107482 1.00 SIGMAR1 (0.41) SIGMAR1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL10122128 1.00 SIGMAR1 (0.41) SIGMAR1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL1753359 0.91 SIGMAR1 (0.42) SIGMAR1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL2106137 0.91 SIGMAR1 (0.42) SIGMAR1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL1753333 0.91 SIGMAR1 (0.42) SIGMAR1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL1754827 0.91 SIGMAR1 (0.42) SIGMAR1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL1754822 0.91 SIGMAR1 (0.42) SIGMAR1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL1753436 0.89 OPRM1 (0.44) SIGMAR1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL10107562 0.89 OPRM1 (0.44) SIGMAR1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL1754825 0.89 OPRM1 (0.44) SIGMAR1OPRM1OPRD1OPRK1SLC22A1

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-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-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-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 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 (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-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS PNLIP, APOB, LIPC SIGMAR1 3339/4885OPRM1 2897/4885ALDH1A1 1724/4885

“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.