SCHEMBL12102475

SCHEMBL12102475

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL12102477 0.79 GABRA1 (0.33) MAPTGABRA1GABRB2
SCHEMBL861791 0.77 MAPT (0.42) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL8061776 0.75 CASP1 (0.43) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL12102411 0.73 ACE2 (0.41) MAPTKDM4EGAAALDH1A1MAPK1
SCHEMBL2662565 0.73 GABRA1 (0.47) TSHRGABRA1GABRB2
SCHEMBL30644807 0.73 ALDH1A1 (0.48) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL12102392 0.73 KDM4E (0.50) MAPTKDM4EGAAALDH1A1
SCHEMBL10269455 0.72 MAPT (0.39) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL20223445 0.72 ADRA2B (0.44) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL1293112 0.71 KDM4E (0.47) MAPTKDM4EGAAALDH1A1TSHR

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 MAPT 719/4885KDM4E 3985/4885GAA 23/4885

“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.