Sugi Predict

Sugi Predict / Compounds / SCHEMBL10107413

SCHEMBL10107413

SCHEMBL10107413

CCCNC(=O)C1(c2ccccc2)CCC(C(=O)OCC)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ KCNA3 P22001 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ OPRM1 P35372 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ OPRD1 P41143 2/20 0.34

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 0.92 SIGMAR1 (0.39) SIGMAR1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10107429 0.92 SIGMAR1 (0.39) SIGMAR1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10107428 0.92 SIGMAR1 (0.39) SIGMAR1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10107395 0.89 PPID (0.42) SIGMAR1SMN1; SMN2MEN1KMT2AOPRM1
SCHEMBL10107416 0.88 HTT (0.40) SMN1; SMN2HTTKCNA3CHRM2HDAC9
SCHEMBL10107405 0.86 SMN1; SMN2 (0.47) SIGMAR1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL1753359 0.86 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL2106137 0.86 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1753333 0.86 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1754827 0.86 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 3339/4885SMN1; SMN2 2720/4885MEN1 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.