SCHEMBL10078239

SCHEMBL10078239

CC(C)c1ccc(C[C@H](N)C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
TYR P14679 1/20 0.45
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 1/20 0.42
EPHX1 P07099 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ACACB O00763 1/20 0.40
COPS5 Q92905 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL14181454 1.00 IDO1 (0.46) IDO1TYRSLC6A2SLC6A3EPHX1
SCHEMBL18519491 0.89 ADRB2 (0.42) SLC6A2SLC6A3EPHX1TP53TSHR
SCHEMBL2269394 0.82 CYP3A4 (0.42) TP53TSHRTAAR1
SCHEMBL242931 0.82 CYP3A4 (0.42) TP53TSHRTAAR1
SCHEMBL9498462 0.82 CYP3A4 (0.42) TP53TSHRTAAR1
SCHEMBL18459574 0.81 IDO1 (0.46) IDO1TYRSLC6A2SLC6A3EPHX1
SCHEMBL1972358 0.80 TAAR1 (0.40) IDO1SLC6A2SLC6A3TP53TSHR
SCHEMBL9503518 0.80 CA2 (0.41) SLC6A2SLC6A3TP53TSHRTAAR1
SCHEMBL6495729 0.80 SLC6A4 (0.59) IDO1SLC6A2SLC6A3TAAR1CYP2C19
SCHEMBL2266844 0.80 TAAR1 (0.40) IDO1SLC6A2SLC6A3TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2023-11-23 US disclosed
EP-3052121-B1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION UNIV LELAND STANFORD JUNIOR (US) 2023-02-22 EP disclosed
US-11008366-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
WO-2017044633-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 AILERON THERAPEUTICS, INC. (US) 2017-03-16 WO disclosed
WO-2012173846-A2 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-12-20 WO disclosed
WO-2012021875-A1 PEPTIDOMIMETIC MACROCYCLES WITH TRIAZOLE LINKERS AILERON THERAPEUTICS, INC. (US) 2012-02-16 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 (2 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-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF ILK, EPCAM, MMP8 IDO1 1338/4885TYR 1334/4885SLC6A2 4273/4885
US-11008366-B2 Peptidomimetic macrocycles GLP1R, PROKR1, VIP IDO1 1962/4885TYR 1641/4885SLC6A2 4656/4885

“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.