SCHEMBL5658868

SCHEMBL5658868

O=C(NCCc1ccc(Cl)cc1)Nc1cccc2cnccc12

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.81
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
GALR3 O60755 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
NR2F2 P24468 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL19472656 0.90 TRPV1 (0.83) TRPV1KDM4ENPC1GALR3ALDH1A1
SCHEMBL4022263 0.89 TRPV1 (0.81) TRPV1KDM4ENPC1GALR3ALDH1A1
SCHEMBL4023549 0.89 TRPV1 (0.81) TRPV1KDM4ENPC1GALR3ALDH1A1
SCHEMBL6595695 0.89 TRPV1 (0.81) TRPV1KDM4ENPC1GALR3ALDH1A1
SCHEMBL4019935 0.88 TRPV1 (1.00) TRPV1
SCHEMBL4020659 0.88 TRPV1 (1.00) TRPV1KDM4ENPC1GALR3ALDH1A1
SCHEMBL5391703 0.86 TRPV1 (1.00) TRPV1
SCHEMBL5658288 0.86 TRPV1 (1.00) TRPV1
SCHEMBL2250293 0.86 TRPV1 (0.76) TRPV1KDM4ENPC1GALR3ALDH1A1
SCHEMBL4025456 0.85 TRPV1 (0.73) TRPV1KDM4ENPC1GALR3ALDH1A1

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 37/4885KDM4E 3121/4885NPC1 959/4885

“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.