SCHEMBL2225317

SCHEMBL2225317

CCCCc1c(C)cccc1C(=O)NCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 5/20 0.52
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NAAA Q02083 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CXCR2 P25025 1/20 0.39

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
SCHEMBL2228895 0.86 CXCR5 (0.53) CXCR5HTTTSHRHPGDSMN1; SMN2
SCHEMBL12164009 0.85 HPGD (0.46) CXCR5HTTTSHRHPGDSMN1; SMN2
SCHEMBL6859420 0.80 KDM4E (0.52) CXCR5TSHRHPGDL3MBTL1KMT2A
SCHEMBL28638059 0.80 CXCR5 (0.47) CXCR5HTTTSHRHPGDSMN1; SMN2
SCHEMBL20161944 0.79 CXCR5 (0.47) CXCR5HTTTSHRSMN1; SMN2L3MBTL1
SCHEMBL27556126 0.79 CYP3A4 (0.46) CXCR5HTTTSHRHPGDL3MBTL1
SCHEMBL13477779 0.78 ALDH1A1 (0.58) HTTHPGDSMN1; SMN2L3MBTL1KMT2A
SCHEMBL4155532 0.78 KMT2A (0.50) HTTTSHRHPGDL3MBTL1KMT2A
SCHEMBL458942 0.78 HPGD (0.66) HTTTSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL7632582 0.77 NAAA (0.59) HTTTSHRHPGDSMN1; SMN2NAAA

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 CXCR5 4427/4885HTT 2538/4885TSHR 3909/4885

“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.