SCHEMBL7046677

SCHEMBL7046677

CC1CCCN(c2ccc(CNC(=O)c3cc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)cn3C)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 15/20 0.46
APOB P04114 7/20 0.46
KDM4E B2RXH2 2/20 0.41
SMO Q99835 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7038156 0.91 MTTP (0.48) MTTPAPOBKDM4ESMOGAA
SCHEMBL7041617 0.90 MTTP (0.52) MTTPAPOBKDM4EGAAALDH1A1
SCHEMBL7114775 0.88 MTTP (0.47) MTTPAPOBKDM4EGAASMN1; SMN2
SCHEMBL7035887 0.86 MTTP (0.46) MTTPAPOBKDM4EGAAALDH1A1
SCHEMBL7046542 0.86 MTTP (0.48) MTTPAPOBKDM4E
SCHEMBL7039772 0.85 MTTP (0.53) MTTPAPOBGAA
SCHEMBL7041769 0.85 MTTP (0.47) MTTPAPOBKDM4EGAAALDH1A1
SCHEMBL7039275 0.85 MTTP (0.46) MTTPAPOBKDM4EGAAALDH1A1
SCHEMBL7046181 0.84 MTTP (0.45) MTTPAPOBKDM4ESMOGAA
SCHEMBL7043296 0.84 MTTP (0.57) MTTPAPOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 MTTP 1/4885APOB 18/4885KDM4E 1812/4885

“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.