SCHEMBL17982823

SCHEMBL17982823

CN1CCN(Cc2cc(CNC3(c4ccccc4F)CCC(C)(C)CC3)ccc2O)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.86
NR1D2 Q14995 1/20 0.86
BACE1 P56817 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HDAC1 Q13547 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
MPO P05164 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL16636139 0.94 NR1D1 (0.84) NR1D1NR1D2BACE1OPRM1OPRD1
SCHEMBL18021949 0.93 NR1D1 (0.86) NR1D1NR1D2BACE1OPRM1OPRD1
SCHEMBL16636389 0.92 NR1D2 (0.96) NR1D1NR1D2BACE1ALDH1A1KDM4E
SCHEMBL29378837 0.92 NR1D2 (1.00) NR1D1NR1D2BACE1ALDH1A1KDM4E
SCHEMBL16636446 0.92 NR1D2 (1.00) NR1D1NR1D2BACE1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16636673 0.92 NR1D1 (0.84) NR1D1NR1D2BACE1OPRM1OPRD1
Hydrochloric Acid SCHEMBL29497168 0.91 NR1D2 (0.98) NR1D1NR1D2BACE1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL17982803 0.91 NR1D2 (0.94) NR1D1NR1D2BACE1ALDH1A1KDM4E
SCHEMBL16638084 0.91 NR1D2 (0.98) NR1D1NR1D2BACE1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16636902 0.91 NR1D2 (0.98) NR1D1NR1D2BACE1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055293-B1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FOND ST ITALIANO TECNOLOGIA (IT) 2017-12-06 EP claimed
US-9611245-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-04-04 US claimed
US-20160237057-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2016-08-18 US claimed
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

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 NR1D1 1/4885NR1D2 9/4885BACE1 3057/4885
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR NR1D1 1/4885NR1D2 9/4885BACE1 3494/4885

“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.