SCHEMBL13519

SCHEMBL13519

CCCCC(=O)NCC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.57
EPHX1 P07099 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL30259898 0.98 FAAH (0.59) FAAHEPHX1HDAC3HDAC4HDAC1
SCHEMBL27405108 0.95 FAAH (0.60) FAAHEPHX1HDAC3HDAC4HDAC1
SCHEMBL3963145 0.93 FAAH (0.58) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL19957328 0.93 FAAH (0.58) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL19154742 0.91 FAAH (0.60) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL6606123 0.91 FAAH (0.67) FAAHSMN1; SMN2CNR1CNR2
SCHEMBL9202 0.89 EPHX1 (0.53) FAAHEPHX1HDAC3HDAC4HDAC1
SCHEMBL17335652 0.85 FAAH (0.69) FAAHCNR1CNR2
SCHEMBL11863514 0.84 EPHX1 (0.52) FAAHEPHX1HDAC3HDAC4HDAC1
SCHEMBL8290227 0.84 GLA (0.57) FAAHEPHX1HDAC3HDAC4HDAC1

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 FAAH 491/4885EPHX1 310/4885HDAC3 2751/4885

“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.