SCHEMBL18898331

SCHEMBL18898331

CC(C)N1CCOC(CC(C)N2CCC(CC(C)N3CCC3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL25834408 0.93 HRH3 (0.39) HRH3
SCHEMBL21660306 0.92 HRH3 (0.40) HRH3CCR2KCNH2
SCHEMBL22893242 0.89 HRH3 (0.47) HRH3CCR2KCNH2
SCHEMBL26032818 0.89 HRH3 (0.38) HRH3
SCHEMBL24022579 0.87 HRH3 (0.38) HRH3CCR2KCNH2
SCHEMBL20665602 0.87 HRH3 (0.36) HRH3
SCHEMBL24700866 0.86 HRH3 (0.47) HRH3CCR2KCNH2
SCHEMBL26194411 0.84 HRH3 (0.46) HRH3CCR2KCNH2
SCHEMBL19960851 0.84 HRH3 (0.33) HRH3CCR2KCNH2
SCHEMBL22011389 0.83 CCR2 (0.33) HRH3CCR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10363257-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-07-30 US disclosed
US-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-01-01 US disclosed
US-9999616-B2 2018-06-19 US disclosed
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2018-06-14 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 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 (4 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-10363257-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 HRH3 829/4885CCR2 832/4885KCNH2 3623/4885
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HRH3 998/4885CCR2 807/4885KCNH2 4199/4885
US-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors BRD4, BRD3, BRD2 HRH3 923/4885CCR2 759/4885KCNH2 3985/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HRH3 853/4885CCR2 593/4885KCNH2 4104/4885

“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.