SCHEMBL7544790

SCHEMBL7544790

N=C1NC(c2ccccc2)(c2cccc(-c3cccnc3)c2)CN1CC1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.39
CPT1B Q92523 2/20 0.39
CPT2 P23786 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ACHE P22303 3/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13558770 0.87 KMT2A (0.49) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL7532660 0.83 KDM4E (0.39) CPT1ACPT1BCPT2ALDH1A1LMNA
SCHEMBL8194464 0.83 CPT1A (0.39) CPT1ACPT1BCPT2ALDH1A1LMNA
SCHEMBL12190802 0.81 ALDH1A1 (0.38) CPT1ACPT1BCPT2ALDH1A1LMNA
SCHEMBL12492428 0.75 CPT1A (0.41) CPT1ACPT1BCPT2ALDH1A1LMNA
SCHEMBL13048160 0.73 KMT2A (0.40) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL7532423 0.71 ADAMTS5 (0.43) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL7533724 0.70 ACHE (0.37) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL7536875 0.69 BRD4 (0.42) KMT2APOLB
SCHEMBL7520663 0.69 KMT2A (0.48) ALDH1A1LMNAKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 CPT1A 3573/4885CPT1B 2175/4885CPT2 3116/4885

“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.