SCHEMBL15522012

SCHEMBL15522012

CCN(CCc1noc(-c2ccc(F)cn2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.45
HCRTR2 O43614 12/20 0.45
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SSTR4 P31391 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CPB2 Q96IY4 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GABRA5 P31644 1/20 0.32

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
SCHEMBL13833142 0.86 PPARG (0.43) HCRTR1HCRTR2HDAC1HDAC8HDAC6
SCHEMBL15604676 0.81 HCRTR1 (0.61) HCRTR1HCRTR2HDAC1HDAC8HDAC6
SCHEMBL15522013 0.80 HCRTR1 (0.41) HCRTR1HCRTR2PPARGPPARAHCAR2
SCHEMBL13833216 0.79 ALDH1A1 (0.39) HCRTR1HCRTR2HDAC1HDAC8HDAC6
SCHEMBL16812741 0.79 HCRTR1 (0.52) HCRTR1HCRTR2HDAC1HDAC8HDAC6
SCHEMBL15518985 0.76 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL15522028 0.76 HCRTR2 (0.72) HCRTR1HCRTR2
SCHEMBL15522011 0.75 HCRTR1 (0.46) HCRTR1HCRTR2PPARGPPARAHCAR2
SCHEMBL15521964 0.75 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL13833377 0.75 HCRTR1 (0.73) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 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 (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-20140081025-A1 HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTT HCRTR1 2/4885HCRTR2 1/4885HDAC1 66/4885

“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.