SCHEMBL13779178

SCHEMBL13779178

CC(C)CCc1cn(C)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
MTOR P42345 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
ESR1 P03372 2/20 0.33
ESR2 Q92731 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
ACACB O00763 1/20 0.31
NAMPT P43490 1/20 0.31
OGA O60502 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL16805452 0.81 CPB2 (0.43) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL1913017 0.79 CYP2C9 (0.53) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL25663922 0.79 TSHR (0.50) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL12015008 0.78 HRH4 (0.36) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL12015010 0.77 CPB2 (0.40) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL8288760 0.77
SCHEMBL14401132 0.76 HRH4 (0.60) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL24127755 0.76 HRH4 (0.55) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL2608882 0.76 CYP2C9 (0.46) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL9597765 0.75

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-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
US-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
US-20150126512-A1 Modulators Of TNF-Alpha Signaling GENZYME CORPORATION (US) 2015-05-07 US disclosed
US-8921547-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2014-12-30 US disclosed
US-20130310388-A1 Modulators of TNF-Alpha Signaling GENZYME CORPORATION (US) 2013-11-21 US disclosed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 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 (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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A HRH4 977/4885CYP2C9 1876/4885TSHR 197/4885
US-20150126512-A1 Modulators Of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 HRH4 1134/4885CYP2C9 4397/4885TSHR 510/4885
US-20130310388-A1 Modulators of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 HRH4 1134/4885CYP2C9 4397/4885TSHR 510/4885

“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.