SCHEMBL5658589

SCHEMBL5658589

CN(C)c1nccc2[c]cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
POLB P06746 2/20 0.32
CHRM4 P08173 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSMD14 O00487 1/20 0.30
COPS5 Q92905 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
SCHEMBL1451844 0.77 CYP2A6 (0.48) HTTCYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL20265149 0.76 SMN1; SMN2 (0.35) HTTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL5658693 0.75 NOS3 (0.50) KDM4E
SCHEMBL5656885 0.73 LMNA (0.43) HTTLMNACYP3A4KDM4EALOX12
SCHEMBL6968370 0.73 PSMD14 (0.35) PSMD14COPS5
SCHEMBL5660661 0.73 HTT (0.32) HTTLMNACYP3A4KDM4EALOX12
SCHEMBL20264984 0.73 ALDH1A1 (0.39) SYKCYP1A2KDM4ECYP2C19MAPK1
SCHEMBL9341222 0.73 POLB (0.39) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4266442 0.71 CYP2A6 (0.55) HTTLMNACYP3A4KDM4ECYP2C19
SCHEMBL27500130 0.70

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 SYK 3133/4885HTT 3751/4885LMNA 2921/4885

“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.