SCHEMBL16636418

SCHEMBL16636418

Oc1ccc(CNC2(c3ccccc3F)CCCC2)cc1CN1CCNCC1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.79
▸ NR1D2 Q14995 1/20 0.79
▸ HDAC1 Q13547 1/20 0.36
▸ CXCR4 P61073 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ CHRM3 P20309 4/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GFER P55789 1/20 0.33

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
SCHEMBL18021946 0.91 NR1D1 (0.83) NR1D1NR1D2BACE1ACHEALDH1A1
SCHEMBL19677013 0.91 NR1D1 (0.66) NR1D1NR1D2HDAC1BACE1OPRM1
Hydrochloric Acid SCHEMBL16636450 0.90 NR1D1 (0.82) NR1D1NR1D2BACE1ACHEALDH1A1
SCHEMBL16636237 0.89 NR1D1 (0.84) NR1D1NR1D2BACE1SIGMAR1LMNA
SCHEMBL16636446 0.88 NR1D2 (1.00) NR1D1NR1D2HDAC1BACE1LMNA
Hydrochloric Acid SCHEMBL16636462 0.88 NR1D1 (0.82) NR1D1NR1D2BACE1SIGMAR1LMNA
SCHEMBL16636464 0.88 NR1D2 (0.85) NR1D1NR1D2BACE1LMNAALDH1A1
SCHEMBL29378837 0.88 NR1D2 (1.00) NR1D1NR1D2HDAC1BACE1LMNA
SCHEMBL16638084 0.87 NR1D2 (0.98) NR1D1NR1D2HDAC1BACE1LMNA
Hydrochloric Acid SCHEMBL17982799 0.87 NR1D1 (0.84) NR1D1NR1D2BACE1LMNAACHE

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 17 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
EP-3055293-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS Fondazione Istituto Italiano di Tecnologia (IT) 2016-08-17 — — EP claimed
WO-2015052283-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-04-16 — — WO 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
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 NR1D1 1/4885NR1D2 9/4885HDAC1 822/4885
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR NR1D1 1/4885NR1D2 9/4885HDAC1 979/4885

“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.

Send feedback