SCHEMBL7039012

SCHEMBL7039012

CN(C)CCCCNC(=O)c1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cn1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTTP P55157 12/20 0.47
APOB P04114 7/20 0.47
TRPV4 Q9HBA0 1/20 0.46
PRKCA P17252 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL7039849 0.86 APOB (0.50) MTTPAPOBKDM4E
SCHEMBL7041153 0.85 MTTP (0.45) MTTPAPOBKDM4E
SCHEMBL7042807 0.84 MTTP (0.49) MTTPAPOBKDM4E
SCHEMBL7042911 0.84 MTTP (0.50) MTTPAPOBKDM4E
SCHEMBL7041367 0.83 MTTP (0.48) MTTPAPOB
SCHEMBL7039772 0.83 MTTP (0.53) MTTPAPOB
SCHEMBL7043296 0.83 MTTP (0.57) MTTPAPOB
SCHEMBL7038711 0.83 MTTP (0.51) MTTPAPOBKDM4E
SCHEMBL7040057 0.82 MTTP (0.53) MTTPAPOB
SCHEMBL6278519 0.81 MTTP (0.55) MTTPAPOBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 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 (2 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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN MTTP 9/4885APOB 1/4885TRPV4 3693/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 MTTP 1/4885APOB 18/4885TRPV4 4372/4885

“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.