SCHEMBL4559949

SCHEMBL4559949

Cc1cncc(-c2cc([C@@]3(C)NC(=N)N(C)C(=O)[C@@H]3c3ccc(C4CC4)cc3)ccn2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
APLNR P35414 1/20 0.33
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL7579413 0.91 BACE1 (0.35) BACE1KDM2BKDM4C
SCHEMBL13055279 0.91 BACE1 (0.35) BACE1KDM2BKDM4C
SCHEMBL14105565 0.91 KDM2B (0.33) KDM2BKDM4C
SCHEMBL4549222 0.89 BACE1 (0.38) BACE1BACE2KDM2BKDM4C
SCHEMBL7553275 0.86 EGFR (0.34) KDM2BKDM4C
SCHEMBL13054082 0.86 EGFR (0.34) KDM2BKDM4C
SCHEMBL7604664 0.85
SCHEMBL4556666 0.84 BACE1 (0.36) BACE1BACE2CYP11B2CYP11B1CYP2A6
SCHEMBL7548233 0.83 KDM2B (0.33) BACE1KDM2BKDM4C
SCHEMBL12173551 0.83 KDM2B (0.33) BACE1KDM2BKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 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 (3 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 8/4885BACE2 30/4885APLNR 1132/4885
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885BACE2 16/4885APLNR 1094/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885BACE2 16/4885APLNR 1094/4885

“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.