SCHEMBL12102477

SCHEMBL12102477

[C-]#[N+]c1cc(Br)ccc1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MAPT P10636 1/20 0.33
TBXA2R P21731 1/20 0.30
PTGER1 P34995 1/20 0.30
PTGER3 P43115 1/20 0.30
DPP4 P27487 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
SCHEMBL12102475 0.79 MAPT (0.36) GABRA1GABRB2MAPT
SCHEMBL12320858 0.76 GABRA1 (0.36) GABRA1GABRB2MAPTDPP4
SCHEMBL6650753 0.75 PYCR1 (0.43) GABRA1GABRB2MAPTTBXA2RPTGER1
SCHEMBL12102411 0.73 ACE2 (0.41) MAPT
SCHEMBL2662565 0.73 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL8252272 0.72 PYCR1 (0.46) GABRA1GABRB2DPP4
SCHEMBL11462319 0.72 PYCR1 (0.46) GABRA1GABRB2MAPT
SCHEMBL12034410 0.71 ALDH1A1 (0.42) MAPTPTGER1
SCHEMBL12204983 0.71 ALOX15 (0.39) GABRA1GABRB2MAPTTBXA2RPTGER1
SCHEMBL20562690 0.70 GABRA1 (0.35) GABRA1GABRB2MAPTTBXA2RPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 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-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 GABRA1 1287/4885GABRB2 536/4885MAPT 719/4885

“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.