SCHEMBL2218872

SCHEMBL2218872

CC(C)N1CCN(C(=O)c2ccc3c(C=O)c[nH]c3c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.62
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
GPR183 P32249 1/20 0.46
CHRNA7 P36544 2/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL17443637 0.82 HRH3 (0.56) HRH3PLGPLAUALDH1A1CYP2A6
SCHEMBL3239367 0.80 HRH3 (0.60) HRH3CHRNA7KDM4EALDH1A1
SCHEMBL2218073 0.78 HRH3 (0.98) HRH3
SCHEMBL2218391 0.77 HRH3 (1.00) HRH3
SCHEMBL3247741 0.77 HRH3 (0.57) HRH3KDM4EALDH1A1MAPT
SCHEMBL3236061 0.77 KDM4E (0.58) HRH3CHRNA7KDM4E
SCHEMBL3240701 0.77 HRH3 (0.57) HRH3GPR183CHRNA7KDM4EALDH1A1
Fluorobenzene SCHEMBL27517444 0.77 RAB9A (0.50) HRH3PLGPLAUKDM4EALDH1A1
SCHEMBL3245572 0.77 HRH3 (0.57) HRH3CHRNA7KDM4EALDH1A1
SCHEMBL2217841 0.76 AVPR1A (0.58) HRH3PLGPLAUKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
CN-101679249-A As histamine H 3The indoles of receptor modulators and benzothienyl compounds JANSSEN PHARMACEUTICA NV 2010-03-24 CN disclosed
EP-2125720-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
WO-2008109333-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 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 (1 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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HRH3 1/4885PLG 4882/4885PLAU 4851/4885

“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.