SCHEMBL11381

SCHEMBL11381

CCN(C(=O)C(C)C)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.46
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MC4R P32245 1/20 0.38
ESR1 P03372 1/20 0.38
RIPK1 Q13546 1/20 0.37

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
SCHEMBL6692681 0.81 TSHR (0.44) TP53TSHRALDH1A1GLACYP3A4
SCHEMBL17078095 0.81 TSHR (0.48) TP53TSHRALDH1A1GLACYP3A4
SCHEMBL9794572 0.81 MLYCD (0.43) MLYCDTSHRCYP3A4MAPTRIPK1
SCHEMBL4294748 0.79 TSHR (0.43) TP53TSHRALDH1A1GLACYP3A4
SCHEMBL11531 0.78 LMNA (0.52) TSHRALDH1A1CYP3A4LMNAMAPT
SCHEMBL26763985 0.77 DDB1 (0.43) MLYCDTP53TSHRALDH1A1LMNA
SCHEMBL2754177 0.77 TP53 (0.41) TP53TSHRALDH1A1GLACYP3A4
SCHEMBL27365569 0.77 TSHR (0.57) TP53TSHRALDH1A1GLAMAPT
SCHEMBL29173201 0.75 CYP3A4 (0.48) TP53TSHRALDH1A1GLACYP3A4
SCHEMBL18765958 0.75 ALDH1A1 (0.66) MLYCDTP53TSHRALDH1A1GLA

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 MLYCD 3620/4885TP53 2390/4885TSHR 3276/4885

“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.