SCHEMBL8433374

SCHEMBL8433374

Cc1cccc(-n2cc([C@]3(C)CC(=O)N(C)C(=N)N3)cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALPG P10696 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NTSR1 P30989 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA3 P0DMS8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.34
ADORA1 P30542 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL2959900 0.89 MTOR (0.32) MTORHSD11B1
SCHEMBL2959902 0.89 MTOR (0.32) MTORHSD11B1
SCHEMBL7562202 0.89 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMTORALOX5
SCHEMBL7556413 0.88 MTOR (0.37) CYP1A2POLBALDH1A1MEN1KMT2A
SCHEMBL2959787 0.87 MGLL (0.34) MAPTMTORALOX5RXRAGRIN1
SCHEMBL2959783 0.87 MGLL (0.34) MAPTMTORALOX5RXRAGRIN1
SCHEMBL7574379 0.87 BACE1 (0.41) ALOX5
SCHEMBL4549146 0.87 LMNA (0.33) MTORLMNA
SCHEMBL4557058 0.86 MTOR (0.34) MTOR
SCHEMBL4557054 0.86 EPHX2 (0.45) CYP1A2MEN1KMT2ANPC1RAB9A

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-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 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 (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-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 CYP1A2 2084/4885POLB 2351/4885ALDH1A1 3127/4885

“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.