SCHEMBL2227718

SCHEMBL2227718

CCCNC(=O)c1cccc(C)c1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
HPGD P15428 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 3/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NAAA Q02083 1/20 0.42
CXCR5 P32302 1/20 0.41

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
SCHEMBL18646228 0.81 HPGD (0.55) TSHRHTTPTGDR2L3MBTL1HPGD
SCHEMBL2228385 0.81 MEN1 (0.54) TSHRHTTPTGDR2L3MBTL1HPGD
SCHEMBL461599 0.80 HPGD (0.64) TSHRHTTL3MBTL1HPGDSMN1; SMN2
SCHEMBL31686014 0.80 HPGD (0.64) TSHRHTTL3MBTL1HPGDSMN1; SMN2
SCHEMBL14688683 0.78 TSHR (0.51) TSHRHTTPTGDR2L3MBTL1HPGD
SCHEMBL6605121 0.78 TSHR (0.51) TSHRHTTPTGDR2L3MBTL1HPGD
SCHEMBL7105503 0.78 TSHR (0.51) TSHRHTTPTGDR2L3MBTL1HPGD
SCHEMBL28467132 0.78 HTT (0.51) TSHRHTTPTGDR2L3MBTL1HPGD
SCHEMBL18930087 0.77 HPGD (0.56) TSHRHTTPTGDR2L3MBTL1HPGD
SCHEMBL18613870 0.77 TSHR (0.50) TSHRHTTL3MBTL1HPGDSMN1; SMN2

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-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B TSHR 3909/4885HTT 2538/4885PTGDR2 1434/4885

“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.