SCHEMBL16636464

SCHEMBL16636464

CCN1CCN(Cc2cc(CNC3(c4ccccc4F)CCCC3)ccc2O)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D2 Q14995 2/20 0.85
NR1D1 P20393 1/20 0.85
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
BACE1 P56817 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
MPO P05164 1/20 0.35
TSHR P16473 3/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 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
Hydrochloric Acid SCHEMBL17982799 0.99 NR1D1 (0.84) NR1D2NR1D1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29378837 0.92 NR1D2 (1.00) NR1D2NR1D1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16636446 0.92 NR1D2 (1.00) NR1D2NR1D1ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL29497168 0.91 NR1D2 (0.98) NR1D2NR1D1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16638084 0.91 NR1D2 (0.98) NR1D2NR1D1ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL16636902 0.91 NR1D2 (0.98) NR1D2NR1D1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16636237 0.91 NR1D1 (0.84) NR1D2NR1D1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18021946 0.91 NR1D1 (0.83) NR1D2NR1D1ALDH1A1BACE1TSHR
Hydrochloric Acid SCHEMBL16637574 0.90 NR1D2 (0.96) NR1D2NR1D1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16636389 0.90 NR1D2 (0.96) NR1D2NR1D1ALDH1A1KDM4ESMN1; SMN2

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 12 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-9949968-B2 Diarylalkylamine REV-ERB antagonists and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2018-04-24 US disclosed
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-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-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
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 NR1D2 9/4885NR1D1 1/4885ALDH1A1 3689/4885
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR NR1D2 9/4885NR1D1 1/4885ALDH1A1 3707/4885

“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.