SCHEMBL5658073

SCHEMBL5658073

CC(C)(C)c1ccc(CN(C(N)=O)c2cccc3cnccc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.41
CCR9 P51686 1/20 0.38
ROCK1 Q13464 2/20 0.36
CCR4 P51679 1/20 0.36
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
ROS1 P08922 1/20 0.35
RPS6KB1 P23443 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL5658084 0.87 L3MBTL1 (0.39) TRPV1ROCK1CCR4NR2F2RAB9A
SCHEMBL6625347 0.86 TRPV1 (0.53) TRPV1ROCK1
SCHEMBL5658596 0.83 TRPV1 (0.38) TRPV1ROCK1CCR4SLC22A12
SCHEMBL6624139 0.82 TRPV1 (0.44) TRPV1ROCK1
SCHEMBL6639486 0.81 TRPV1 (0.37) TRPV1HDAC6
SCHEMBL5431368 0.80 ROS1 (0.51) TRPV1ROCK1NR2F2RAB9AROS1
SCHEMBL5411314 0.80 TRPV1 (0.53) TRPV1
SCHEMBL6623343 0.79 CYP3A4 (0.40) TRPV1ROCK1
SCHEMBL5659704 0.78 TRPV1 (0.40) TRPV1ROCK1NR2F2RAB9ASLC22A12
SCHEMBL27642766 0.78 TRPV1 (0.43) TRPV1ROCK1

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 TRPV1 37/4885CCR9 431/4885ROCK1 2762/4885

“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.