Sugi Predict

Sugi Predict / Compounds / SCHEMBL10107428

SCHEMBL10107428

SCHEMBL10107428

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OPRM1 P35372 7/20 0.37
▸ OPRL1 P41146 2/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ OPRD1 P41143 3/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ SLC22A1 O15245 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
SCHEMBL10107427 1.00 SIGMAR1 (0.39) SIGMAR1MEN1KMT2ANPSR1CYP1A2
SCHEMBL10107429 1.00 SIGMAR1 (0.39) SIGMAR1MEN1KMT2ANPSR1CYP1A2
SCHEMBL10107413 0.92 SIGMAR1 (0.38) SIGMAR1MEN1KMT2ANPSR1CYP1A2
SCHEMBL10107395 0.91 PPID (0.42) SIGMAR1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL10107405 0.88 SMN1; SMN2 (0.47) SIGMAR1MEN1KMT2ANPSR1CYP1A2
SCHEMBL10107437 0.88 HDAC9 (0.40) NPSR1SMN1; SMN2OPRM1OPRL1HDAC9
SCHEMBL1753359 0.88 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1753333 0.88 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL10122259 0.88 HDAC9 (0.40) NPSR1SMN1; SMN2OPRM1OPRL1HDAC9
SCHEMBL2106137 0.88 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP1A2CYP2D6

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 3339/4885MEN1 4057/4885KMT2A 3739/4885

“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.