SCHEMBL4425583

SCHEMBL4425583

CC1(C)CCN(C(=O)C(F)(F)F)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 5/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
APAF1 O14727 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL4872661 0.84 LMNA (0.44) SMN1; SMN2HTTALDH1A1MAPTAPAF1
SCHEMBL2051799 0.84 ALDH1A1 (0.43) FFAR4SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL4430316 0.82 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL6223920 0.82 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL14507881 0.81 ALDH1A1 (0.43) FFAR4SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL2083161 0.81 DRD2 (0.52) CA12CA1CA2CA7CA9
SCHEMBL396958 0.81 ALDH1A1 (0.49) FFAR4SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL2616855 0.79 ATM (0.48) CA12CA1CA2CA7CA9
SCHEMBL397120 0.79 LMNA (0.42) SMN1; SMN2ALDH1A1MAPTAPAF1CACNA1B
SCHEMBL2616894 0.78 MAPT (0.47) CA12CA1CA2CA7CA9

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-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 FFAR4 47/4885CA12 4731/4885CA1 4775/4885
US-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 FFAR4 256/4885CA12 3517/4885CA1 3798/4885

“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.