SCHEMBL10107644

SCHEMBL10107644

CCCNC(=O)C1(c2ccccc2)CCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 3/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 1/20 0.40
KCNA3 P22001 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TPSAB1 Q15661 1/20 0.38
MCHR1 Q99705 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
SCHEMBL10107666 0.94 NPSR1 (0.47) NPSR1MEN1KMT2APOLBCARM1
SCHEMBL10107641 0.90 POLB (0.49) NPSR1MEN1KMT2APOLBCARM1
SCHEMBL13597968 0.88 MEN1 (0.41) NPSR1MEN1KMT2APOLBCARM1
SCHEMBL13597973 0.88 MEN1 (0.41) NPSR1MEN1KMT2APOLBCARM1
SCHEMBL10108417 0.87 POLB (0.47) NPSR1MEN1KMT2APOLBCARM1
SCHEMBL10108426 0.87 POLB (0.47) NPSR1MEN1KMT2APOLBCARM1
SCHEMBL10107726 0.87 KDM4E (0.47) NPSR1MEN1KMT2APOLBCARM1
SCHEMBL10107699 0.87 KDM4E (0.47) NPSR1MEN1KMT2APOLBCARM1
SCHEMBL10107637 0.86 KMT2A (0.48) NPSR1MEN1KMT2APOLBCARM1
SCHEMBL10107648 0.84 CARM1 (0.48) NPSR1MEN1KMT2APOLBCARM1

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 5 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
WO-2008049806-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-02 WO 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 NPSR1 2287/4885MEN1 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.