SCHEMBL16636557

SCHEMBL16636557

O=Cc1ccc(O)c(CN2CCN(C(=O)O)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.48
FAAH O00519 2/20 0.47
ACHE P22303 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
TSHR P16473 4/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MPO P05164 1/20 0.41
GFER P55789 1/20 0.41
CTSB P07858 1/20 0.41
GAA P10253 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL17982781 0.88 HRH3 (0.48) BACE1FAAHACHECA1CA2
SCHEMBL28295141 0.84 ACHE (0.64) BACE1ACHECA1CA2TSHR
SCHEMBL17982835 0.83 CA1 (0.61) BACE1ACHECA1CA2TSHR
SCHEMBL17982831 0.83 ACHE (0.48) BACE1ACHECA1CA2TSHR
SCHEMBL17982845 0.83 ACHE (0.48) BACE1ACHECA1CA2TSHR
SCHEMBL17982782 0.82 ACHE (0.62) BACE1ACHETSHRKDM4EALDH1A1
SCHEMBL18021941 0.81 VEGFA (0.48) FAAHACHECA1CA2TSHR
SCHEMBL1421723 0.81 CTSB (0.60) BACE1ACHETSHRALOX15KDM4E
SCHEMBL16636536 0.81 TSHR (0.66) BACE1CA1CA2TSHRALOX15
SCHEMBL2931146 0.80 ALDH1A1 (0.62) BACE1FAAHACHETSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949968-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2018-04-24 US disclosed
EP-3055293-B1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FOND ST ITALIANO TECNOLOGIA (IT) 2017-12-06 EP disclosed
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-05-18 US disclosed
US-9611245-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-04 US disclosed
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-08-18 US disclosed
EP-3055293-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS Fondazione Istituto Italiano di Tecnologia (IT) 2016-08-17 EP disclosed
WO-2015052283-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-04-16 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-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR BACE1 3057/4885FAAH 3548/4885ACHE 4833/4885
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR BACE1 3494/4885FAAH 3508/4885ACHE 4835/4885

“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.