SCHEMBL5657633

SCHEMBL5657633

O=C(NCCc1nc(-c2ccccc2)cs1)Nc1cccc2cnccc12

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.67
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
GALR3 O60755 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NR2F2 P24468 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL5658434 0.90 TRPV1 (0.58) TRPV1ROCK2ROCK1
SCHEMBL4026884 0.77 TRPV1 (0.87) TRPV1MAPTKDM4ENPC1GALR3
SCHEMBL5659569 0.77 TRPV1 (0.62) TRPV1
SCHEMBL5660162 0.75 TRPV1 (0.62) TRPV1KDM4E
SCHEMBL4023918 0.75 TRPV1 (0.72) TRPV1MAPTKDM4ENPC1GALR3
SCHEMBL14589060 0.75 TRPV1 (0.72) TRPV1ALDH1A1HTTLMNA
SCHEMBL19472656 0.75 TRPV1 (0.83) TRPV1MAPTKDM4ENPC1GALR3
SCHEMBL4025456 0.75 TRPV1 (0.73) TRPV1MAPTKDM4ENPC1GALR3
SCHEMBL4022152 0.75 TRPV1 (0.77) TRPV1KDM4E
SCHEMBL5658056 0.74 TRPV1 (0.58) TRPV1

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 37/4885ROCK2 3989/4885ROCK1 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.