SCHEMBL7040053

SCHEMBL7040053

Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C(=O)NCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
SMO Q99835 1/20 0.50
MTTP P55157 10/20 0.47
APOB P04114 3/20 0.47
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
ADAMTS7 Q9UKP4 1/20 0.45
PPARG P37231 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43

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
SCHEMBL7039772 0.92 MTTP (0.53) MTTPAPOBPPARG
SCHEMBL7041370 0.91 MTTP (0.49) SMOMTTPAPOBPPARGS1PR1
SCHEMBL7041096 0.91 MTTP (0.51) SMOMTTPAPOB
SCHEMBL7043296 0.90 MTTP (0.57) MTTPAPOBPPARG
SCHEMBL7041681 0.89 MTTP (0.53) MTTPAPOBPPARG
SCHEMBL7041737 0.89 SMO (0.60) SMOMTTPAPOBADAMTS7PPARG
SCHEMBL7035884 0.89 MTTP (0.51) MTTPAPOBPPARG
SCHEMBL7035871 0.88 MTTP (0.50) MTTPAPOBPPARG
SCHEMBL7043268 0.88 MTTP (0.50) MTTPAPOBHDAC1PPARG
SCHEMBL7041435 0.88 MTTP (0.50) SMOMTTPAPOBHDAC1PPARG

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 TRPV1 3436/4885SMO 4330/4885MTTP 9/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 TRPV1 3993/4885SMO 4829/4885MTTP 1/4885

“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.