SCHEMBL5658747

SCHEMBL5658747

Cc1cc2[c]c(F)ccc2cn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
ABL1 P00519 1/20 0.32
UHRF1 Q96T88 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
TRPV1 Q8NER1 4/20 0.31

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
SCHEMBL5658595 0.70 UHRF1 (0.31) CYP1A2CYP2A6UHRF1
SCHEMBL1450435 0.68 CYP1A2 (0.53) CYP1A2CYP2A6UHRF1CCR1CCR5
SCHEMBL29045253 0.67 CYP1A2 (0.41) CYP1A2CYP2A6
SCHEMBL8160185 0.67 CYP1A2 (0.57) CYP1A2CYP2A6ABL1CCR1CCR5
SCHEMBL2320872 0.67 CYP1A2 (0.57) CYP1A2CYP2A6ABL1CCR1CCR5
SCHEMBL18266963 0.65 CYP1A2 (0.67) CYP1A2CYP2A6ABL1UHRF1CCR1
SCHEMBL8167276 0.63 CYP1A2 (0.52) CYP1A2CYP2A6ABL1UHRF1CCR1
SCHEMBL4840796 0.63 CYP2A6 (0.41) CYP1A2CYP2A6
SCHEMBL4838237 0.63 CYP2A6 (0.41) CYP1A2CYP2A6
SCHEMBL18266965 0.62 CYP1A2 (0.64) CYP1A2CYP2A6UHRF1CCR1CCR5

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 4 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
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 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 (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 CYP1A2 464/4885CYP2A6 743/4885ABL1 3530/4885

“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.