SCHEMBL9681

SCHEMBL9681

CCC(=O)NC1CCCC(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.37
EPHX1 P07099 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 1/20 0.36
IDH2 P48735 1/20 0.35

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
Hydrochloric Acid SCHEMBL8069069 0.91 MTNR1A (0.34) SMN1; SMN2MTNR1AMTNR1BNPSR1GAA
SCHEMBL8068961 0.86 IDH2 (0.32) SMN1; SMN2MTNR1AMTNR1BNPSR1GAA
SCHEMBL20696750 0.85 SMN1; SMN2 (0.38) SMN1; SMN2MTNR1AMTNR1BNPSR1GAA
SCHEMBL20696749 0.85 SMN1; SMN2 (0.38) SMN1; SMN2MTNR1AMTNR1BNPSR1GAA
SCHEMBL21258485 0.85 SMN1; SMN2 (0.38) SMN1; SMN2MTNR1AMTNR1BNPSR1GAA
SCHEMBL22252353 0.81 NPSR1 (0.41) SMN1; SMN2MTNR1AMTNR1BNPSR1GAA
SCHEMBL1785584 0.80 GRIN1 (0.40) SMN1; SMN2NPSR1LMNAHPGDEPHX1
SCHEMBL3053225 0.80 GRIN1 (0.40) SMN1; SMN2NPSR1LMNAHPGDEPHX1
SCHEMBL3044359 0.80 GRIN1 (0.40) SMN1; SMN2NPSR1LMNAHPGDEPHX1
Hydrochloric Acid SCHEMBL8071885 0.79 SMN1; SMN2 (0.38) SMN1; SMN2MTNR1AMTNR1BGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP SMN1; SMN2 3569/4885MTNR1A 932/4885MTNR1B 525/4885

“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.