SCHEMBL6407102

SCHEMBL6407102

CN(C)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CC(=O)O)CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.52
MMP1 P03956 7/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.45
FCER2 P06734 5/20 0.44
CTSB P07858 1/20 0.44
KMT2A Q03164 1/20 0.44
ANPEP P15144 1/20 0.44
ATM Q13315 1/20 0.43
MMP8 P22894 1/20 0.43
TACR2 P21452 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
SCHEMBL6409719 0.99 F7 (0.51) F7MMP1ALDH1A1MAPTFCER2
SCHEMBL6411246 0.87 MMP1 (0.54) F7MMP1ALDH1A1MAPTCTSB
SCHEMBL6407708 0.86 MMP1 (0.53) F7MMP1ALDH1A1MAPTCTSB
SCHEMBL5494080 0.82 TACR2 (0.55) MMP1CTSBTACR2
SCHEMBL5160205 0.81 F7 (0.59) F7MMP1ALDH1A1FCER2CTSB
SCHEMBL5492268 0.81 TACR2 (0.57) MMP1ALDH1A1TACR2
SCHEMBL6407136 0.80 F7 (0.64) F7MMP1ALDH1A1FCER2KMT2A
SCHEMBL6411176 0.80 F7 (0.57) F7MMP1ALDH1A1FCER2KMT2A
SCHEMBL5494652 0.79 TACR2 (0.53) ALDH1A1MAPTTACR2
SCHEMBL5491193 0.79 TACR2 (0.55) MMP1ALDH1A1MAPTTACR2

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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS 2005-12-15 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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases LDLR, NPC1L1, CETP F7 4389/4885MMP1 3976/4885ALDH1A1 4484/4885

“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.