SCHEMBL10107462

SCHEMBL10107462

NC(=O)C1(c2ccccc2)CC[C@@H](C(=O)O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
AKR1C1 Q04828 1/20 0.36
HSD11B1 P28845 1/20 0.34
OPRL1 P41146 2/20 0.34
CYP2C9 P11712 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL10122504 1.00 HDAC9 (0.37) HDAC9ALDH1A1AKR1C1HSD11B1OPRL1
SCHEMBL10107485 1.00 HDAC9 (0.37) HDAC9ALDH1A1AKR1C1HSD11B1OPRL1
SCHEMBL1753719 0.88 AKR1C1 (0.41) HDAC9ALDH1A1AKR1C1HSD11B1
SCHEMBL10122128 0.82 SIGMAR1 (0.41) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL10107457 0.82 SIGMAR1 (0.41) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL10107482 0.82 SIGMAR1 (0.41) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL10107407 0.81 HDAC9 (0.42) HDAC9CYP2C9
SCHEMBL10122259 0.79 HDAC9 (0.40) HDAC9OPRL1OPRM1OPRD1
SCHEMBL1754813 0.79 OPRM1 (0.45) OPRM1OPRD1OPRK1
SCHEMBL10107437 0.79 HDAC9 (0.40) HDAC9OPRL1OPRM1OPRD1

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 HDAC9 2506/4885ALDH1A1 1724/4885AKR1C1 2888/4885

“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.