SCHEMBL5657097

SCHEMBL5657097

NCCCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.48
TRPV4 Q9HBA0 1/20 0.46
CYP2A6 P11509 1/20 0.44
TKT P29401 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
AKT2 P31751 1/20 0.39
HRH1 P35367 3/20 0.39
LOX P28300 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36

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
SCHEMBL264730 0.89 TAAR1 (0.52) DAOTRPV4TKTTAAR1MAOB
SCHEMBL14028936 0.82 TKT (0.49) DAOTRPV4TKTMAOBKDM1A
SCHEMBL991269 0.82 DAO (0.48) DAOTRPV4TKTMAOBKDM1A
SCHEMBL31067892 0.82 TKT (0.49) DAOTRPV4TKTMAOBKDM1A
SCHEMBL12224352 0.82 NFKB1 (0.50) DAOTRPV4TKTMAOBKDM1A
SCHEMBL40545 0.81 LOXL2 (0.53) DAOTRPV4TKTTAAR1MAOB
SCHEMBL29404783 0.81 LOXL2 (0.53) DAOTRPV4TKTTAAR1MAOB
SCHEMBL7993760 0.81 TKT (0.48) DAOTRPV4TKTMAOBKDM1A
SCHEMBL18737245 0.81 RAB9A (0.48) DAOTRPV4TKT
SCHEMBL4853179 0.80 PLAAT3 (0.47) DAOTRPV4TKTPLAAT3PLAAT5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884445-B Benzamide H.隆德贝克有限公司 2018-06-19 CN disclosed
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 DAO 1628/4885TRPV4 143/4885CYP2A6 743/4885

“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.