SCHEMBL1753333

SCHEMBL1753333

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 5/20 0.40
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL1754827 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1HTTL3MBTL1MEN1
SCHEMBL2106137 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1HTTL3MBTL1MEN1
SCHEMBL1754822 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1HTTL3MBTL1MEN1
SCHEMBL1753359 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1HTTL3MBTL1MEN1
SCHEMBL1754825 0.92 OPRM1 (0.44) SIGMAR1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL1753436 0.92 OPRM1 (0.44) SIGMAR1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL10107562 0.92 OPRM1 (0.44) SIGMAR1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL1753486 0.92 OPRM1 (0.44) SIGMAR1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL1754839 0.92 OPRM1 (0.44) SIGMAR1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL10107457 0.91 SIGMAR1 (0.41) SIGMAR1ALDH1A1HTTL3MBTL1MEN1

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 6 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-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
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 SIGMAR1 3945/4885ALDH1A1 1724/4885HTT 477/4885
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS PNLIP, APOB, LIPC SIGMAR1 3339/4885ALDH1A1 1724/4885HTT 209/4885

“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.