SCHEMBL7601386

SCHEMBL7601386

CN1C(=N)N[C@](C)(c2cccc(-c3cccc(N)c3)n2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.36
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
CYP19A1 P11511 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KARS1 Q15046 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 2/20 0.32
METAP2 P50579 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL14106269 0.87 HSD17B1 (0.34) BACE1TSHRGABRA1GABRB2KDM4E
SCHEMBL7570330 0.87 PGR (0.38) BACE1MEN1KMT2A
SCHEMBL7549771 0.85 BACE1 (0.48) BACE1
SCHEMBL8414657 0.85 BACE1 (0.35) BACE1CYP19A1BRD4
SCHEMBL4549224 0.85 BACE1 (0.38) BACE1GABRA1GABRB2
SCHEMBL14105845 0.85 BRD4 (0.35) BACE1CYP19A1BRD4
SCHEMBL7543625 0.85 BACE1 (0.48) BACE1
SCHEMBL12174207 0.85 BACE1 (0.48) BACE1
SCHEMBL7549296 0.84 PGR (0.33) BACE1MEN1KMT2A
SCHEMBL14105567 0.83 BACE1 (0.40) BACE1CYP19A1

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-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

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 BACE1 8/4885TSHR 1151/4885RECQL 648/4885

“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.