SCHEMBL10130169

SCHEMBL10130169

CC(C)Cc1ccc2nnn(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.46
SLC9A1 P19634 2/20 0.46
FAAH O00519 1/20 0.43
SLC6A4 P31645 1/20 0.40
CYP19A1 P11511 4/20 0.39
CYP11B1 P15538 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HCAR3 P49019 1/20 0.37
NSD2 O96028 1/20 0.37
NOTUM Q6P988 1/20 0.36
HPGD P15428 3/20 0.35
GRM4 Q14833 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL12604538 0.87 HCAR3 (0.47) KEAP1SLC9A1FAAHHCAR3HPGD
SCHEMBL12560105 0.81 SLC9A1 (0.50) KEAP1SLC9A1SLC6A4CYP19A1CYP11B1
SCHEMBL282111 0.79 SLC9A1 (0.48) KEAP1SLC9A1SLC6A4CYP19A1CYP11B1
SCHEMBL22862868 0.79 KEAP1 (0.48) KEAP1SLC9A1SLC6A4CYP19A1CYP11B1
SCHEMBL1161111 0.79 KEAP1 (0.48) KEAP1SLC9A1SLC6A4CYP19A1CYP11B1
SCHEMBL8445272 0.79 SLC9A1 (0.48) KEAP1SLC9A1SLC6A4CYP19A1CYP11B1
SCHEMBL8828592 0.78 SLC9A1 (0.47) KEAP1SLC9A1SLC6A4CYP19A1CYP11B1
SCHEMBL27661677 0.77 KEAP1 (0.46) KEAP1SLC9A1SLC6A4CYP19A1CYP11B1
SCHEMBL8771320 0.77 SLC9A1 (0.46) KEAP1SLC9A1SLC6A4CYP19A1CYP11B1
SCHEMBL15341829 0.74 CYP19A1 (0.50) KEAP1SLC9A1CYP19A1CYP11B1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461180-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-06-11 US disclosed
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
US-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, CCNY, RTF1 KEAP1 2339/4885SLC9A1 4059/4885FAAH 4262/4885

“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.