SCHEMBL18539746

SCHEMBL18539746

CCOCCN1CCC(NC(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH1 P35367 5/20 0.38
KDM1A O60341 2/20 0.36
HTR7 P34969 3/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PABPC1 P11940 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
HTR1A P08908 2/20 0.33
HTT P42858 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
SCHEMBL22794388 0.86 GNAI3 (0.41) GNAI3GNAO1GNAI1HTT
SCHEMBL25831695 0.84 GNAO1 (0.43) GNAI3GNAO1GNAI1THRBHTT
SCHEMBL23602775 0.83 PRMT6 (0.35) HRH1KDM1AHTR7GNAI3GNAO1
SCHEMBL2621574 0.83 KDM1A (0.46) CYP2D6KDM1AHTR7PABPC1NPC1
SCHEMBL21107910 0.82 PRMT6 (0.35) HRH1KDM1AHTR7GNAI3GNAO1
SCHEMBL23806558 0.82 GNAI3 (0.33) KDM1AHTR7GNAI3GNAO1GNAI1
SCHEMBL23696344 0.82 PRMT6 (0.35) HRH1KDM1AHTR7GNAI3GNAO1
SCHEMBL21107904 0.81 KDM4E (0.33) KDM1AHTR7GNAI3GNAO1GNAI1
SCHEMBL24060967 0.81 KDM1A (0.51) KDM1AHTR7NPC1HTR1A
SCHEMBL23806789 0.81 HTT (0.33) HRH1KDM1AHTR7GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298022-B1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INT (DE) 2019-06-05 EP disclosed
US-10221202-B2 Annelated phenoxyacetamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-05 US disclosed
US-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INT (DE) 2017-11-02 US disclosed
US-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INT (DE) 2017-11-02 US disclosed
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 US disclosed
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 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 (3 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-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES EP300, NAT1, AADAC CYP2D6 69/4885CYP2C19 143/4885HRH1 148/4885
US-10221202-B2 Annelated phenoxyacetamides EP300, NAT1, REN CYP2D6 93/4885CYP2C19 104/4885HRH1 398/4885
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES EP300, NAT1, AADAC CYP2D6 118/4885CYP2C19 213/4885HRH1 211/4885

“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.