SCHEMBL10107416

SCHEMBL10107416

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC9 Q9UKV0 1/20 0.39
POLB P06746 1/20 0.38
IDO1 P14902 3/20 0.37
KCNA3 P22001 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR2B P41595 1/20 0.36
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNB1 Q02641 1/20 0.35

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
SCHEMBL10107437 0.91 HDAC9 (0.40) HTTSMN1; SMN2HDAC9CHRM2LMNA
SCHEMBL10107435 0.91 HDAC9 (0.40) HTTSMN1; SMN2HDAC9CHRM2LMNA
SCHEMBL10122259 0.91 HDAC9 (0.40) HTTSMN1; SMN2HDAC9CHRM2LMNA
SCHEMBL10107413 0.88 SIGMAR1 (0.38) HTTSMN1; SMN2HDAC9POLBKCNA3
SCHEMBL10107419 0.85 HTT (0.41) HTTSMN1; SMN2HDAC9POLBIDO1
SCHEMBL10107410 0.85 SLC6A4 (0.44) SMN1; SMN2HDAC9
SCHEMBL10107644 0.81 NPSR1 (0.46) POLBKCNA3CHRM2
SCHEMBL10107407 0.81 HDAC9 (0.42) SMN1; SMN2HDAC9POLBLMNA
SCHEMBL1753719 0.80 AKR1C1 (0.41) HTTHDAC9LMNA
SCHEMBL10107428 0.79 SIGMAR1 (0.39) HTTSMN1; SMN2HDAC9

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 HTT 209/4885SMN1; SMN2 2720/4885HDAC9 2506/4885

“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.