SCHEMBL5658084

SCHEMBL5658084

CC(C)(C)c1cc(CN(C(N)=O)c2cccc3cnccc23)ccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 8/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CCR4 P51679 1/20 0.35
ROCK1 Q13464 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
F2 P00734 1/20 0.35
PDK1 Q15118 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5658073 0.87 TRPV1 (0.41) TRPV1CCR4ROCK1NR2F2RAB9A
SCHEMBL6624139 0.85 TRPV1 (0.44) TRPV1ROCK1PDK1
SCHEMBL6625347 0.83 TRPV1 (0.53) TRPV1ROCK1
SCHEMBL5658596 0.82 TRPV1 (0.38) TRPV1LMNACCR4ROCK1SLC22A12
SCHEMBL27642766 0.82 TRPV1 (0.43) TRPV1LMNAALDH1A1ROCK1F2
SCHEMBL5659704 0.82 TRPV1 (0.40) TRPV1ROCK1NR2F2RAB9ASLC22A12
SCHEMBL27663639 0.78 ROS1 (0.39) TRPV1LMNAALDH1A1ROCK1NR2F2
SCHEMBL5431368 0.77 ROS1 (0.51) TRPV1LMNAALDH1A1ROCK1NR2F2
SCHEMBL27663669 0.77 TRPV1 (0.44) TRPV1ROCK1
SCHEMBL27642770 0.77 TRPV1 (0.46) TRPV1ALDH1A1ROCK1SMN1; SMN2

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-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 L3MBTL1 4408/4885TRPV1 37/4885LMNA 2921/4885

“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.