SCHEMBL5658382

SCHEMBL5658382

Clc1cc2[c]cccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
PDPK1 O15530 1/20 0.31
CCR9 P51686 1/20 0.30

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
SCHEMBL1450435 0.77 CYP1A2 (0.53) CYP1A2CYP2A6PDPK1
SCHEMBL5660696 0.73 TRPV4 (0.40)
SCHEMBL5660167 0.73 NCF1 (0.34) CYP1A2CYP2A6
SCHEMBL11149746 0.73 ALDH1A1 (0.37) CYP2A6
SCHEMBL5661365 0.72 KMT2A (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL756551 0.71 CYP2A6 (0.32) CYP2A6
SCHEMBL10501637 0.71 CCR1 (0.31) CYP1A2CYP2A6
SCHEMBL5657567 0.70 HRH1 (0.37) PDPK1
SCHEMBL30502940 0.70 CYP2A6 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL239390 0.70 CYP2A6 (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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 GABRP 222/4885GABRD 242/4885GABRA1 116/4885

“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.