SCHEMBL5469797

SCHEMBL5469797

CCCC(C)(C)c1c[c]ccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CNR1 P21554 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL12982557 0.89 CNR2 (0.37) CNR2CNR1ESR1ESR2
SCHEMBL1071791 0.84 NPC1 (0.37) TAAR1
SCHEMBL6634824 0.81 TAAR1 (0.31) TAAR1
SCHEMBL12482997 0.78 SHBG (0.44) TAAR1
SCHEMBL3600103 0.78 TAAR1 (0.33) TAAR1
SCHEMBL5762552 0.78 TAAR1 (0.57) TAAR1
SCHEMBL6667352 0.77
SCHEMBL2447289 0.75 CNR2 (0.39) CNR2TAAR1CNR1ESR1ESR2
SCHEMBL398002 0.74 TAAR1 (0.56) CNR2TAAR1ESR1ESR2
SCHEMBL575234 0.74 TAAR1 (0.56) CNR2TAAR1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP claimed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US claimed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 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 (2 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-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A CNR2 3408/4885TAAR1 4599/4885CNR1 3321/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR CNR2 613/4885TAAR1 1413/4885CNR1 897/4885

“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.