Sugi Predict

Sugi Predict / Compounds / SCHEMBL10107405

SCHEMBL10107405

SCHEMBL10107405

CCOC(=O)C1CCC(C(=O)Nc2ccccc2)(c2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 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
SCHEMBL10107427 0.88 SIGMAR1 (0.39) SMN1; SMN2NPSR1MEN1KMT2ACYP1A2
SCHEMBL10107428 0.88 SIGMAR1 (0.39) SMN1; SMN2NPSR1MEN1KMT2ACYP1A2
SCHEMBL10107429 0.88 SIGMAR1 (0.39) SMN1; SMN2NPSR1MEN1KMT2ACYP1A2
SCHEMBL1754822 0.87 SIGMAR1 (0.42) MEN1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL1753333 0.87 SIGMAR1 (0.42) MEN1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL1753359 0.87 SIGMAR1 (0.42) MEN1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL2106137 0.87 SIGMAR1 (0.42) MEN1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL1754827 0.87 SIGMAR1 (0.42) MEN1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL10107413 0.86 SIGMAR1 (0.38) SMN1; SMN2NPSR1MEN1KMT2ACYP1A2
SCHEMBL1754839 0.85 OPRM1 (0.44) SMN1; SMN2SIGMAR1

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 SMN1; SMN2 2720/4885NPSR1 2287/4885MEN1 4057/4885

“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.