SCHEMBL5657776

SCHEMBL5657776

Cc1ccccc1-n1cc(CN)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPK14 Q16539 5/20 0.40
MAPK11 Q15759 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RXRA P19793 5/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2B Q13224 5/20 0.39
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
ADRB2 P07550 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL2415047 0.83 P2RX7 (0.46) P2RX7MAPK14MAPK11KDM4EALDH1A1
SCHEMBL1195180 0.78 P2RX7 (0.54) P2RX7MAPK14MAPK11KDM4EALDH1A1
SCHEMBL22633214 0.77 MAPK14 (0.43) P2RX7MAPK14MAPK11ALDH1A1LMNA
SCHEMBL17066470 0.77 TDO2 (0.49) P2RX7MAPK14MAPK11KDM4EALDH1A1
SCHEMBL8276924 0.75 DRD4 (0.55) GABRA1GABRR1GABRA3GABRA2GABRB2
SCHEMBL17731487 0.75 TSHR (0.39) P2RX7MAPK14MAPK11KDM4EALDH1A1
SCHEMBL17952503 0.75 GRM4 (0.41) P2RX7MAPK14MAPK11ALDH1A1RXRA
SCHEMBL18616334 0.74 MPO (0.47) P2RX7MAPK14MAPK11KDM4EALDH1A1
SCHEMBL23398990 0.74 GAA (0.56) P2RX7MAPK14MAPK11ALDH1A1RXRA
SCHEMBL671958 0.74 ELANE (0.47) P2RX7MAPK14MAPK11ALDH1A1RXRA

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 P2RX7 25/4885GABRA1 116/4885GABRR1 211/4885

“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.