SCHEMBL18021971

SCHEMBL18021971

CN1CCC(Cc2cccc(CNC3(c4ccccc4F)CCOCC3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D2 Q14995 2/20 0.61
NR1D1 P20393 1/20 0.48
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35
HTR1A P08908 2/20 0.34
SLC6A4 P31645 1/20 0.34
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
ACP1 P24666 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM1A O60341 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 SCHEMBL17982785 0.99 NR1D2 (0.60) NR1D2NR1D1LMNASMN1; SMN2NPSR1
SCHEMBL18021950 0.91 NR1D2 (0.73) NR1D2NR1D1ATMHTR1ASLC6A4
SCHEMBL29906510 0.91 NR1D2 (0.73) NR1D2NR1D1ATMHTR1ASLC6A4
Hydrochloric Acid SCHEMBL16638032 0.90 NR1D2 (0.71) NR1D2NR1D1ATMHTR1ASLC6A4
SCHEMBL17982824 0.90 NR1D2 (0.71) NR1D2NR1D1LMNASMN1; SMN2ATM
SCHEMBL26556315 0.80 NR1D2 (0.68) NR1D2NR1D1NPSR1HTR1ASLC6A4
SCHEMBL17982793 0.79 NR1D2 (0.58) NR1D2NR1D1LMNAATMCYP2C9
SCHEMBL17982805 0.79 NR1D2 (0.56) NR1D2NR1D1HTR1ASLC6A4
SCHEMBL18021965 0.79 NR1D2 (0.55) NR1D2NR1D1LMNAATMCYP2C9
SCHEMBL17982833 0.78 NR1D2 (0.56) NR1D2NR1D1ATM

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
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
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

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 1/4885LMNA 780/4885
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR NR1D2 9/4885NR1D1 1/4885LMNA 1171/4885

“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.