SCHEMBL3562330

SCHEMBL3562330

CCCCCC[CH]CCc1noc2cccc(OCc3ccc(C)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 7/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
HTR4 Q13639 5/20 0.35
EDNRA P25101 1/20 0.34
SGMS1 Q86VZ5 3/20 0.33
BCHE P06276 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL2440688 0.72 KDR (0.46) SGMS2EDNRASGMS1MAOAMAOB
SCHEMBL2768136 0.71 SGMS2 (0.42) SGMS2SGMS1CYP1A2CYP2D6
SCHEMBL2768342 0.71 SGMS2 (0.37) SGMS2EDNRASGMS1
SCHEMBL2768140 0.71 SGMS2 (0.37) SGMS2EDNRASGMS1
SCHEMBL12330750 0.70 SGMS2 (0.54) SGMS2EDNRASGMS1
SCHEMBL2785783 0.69 SGMS2 (0.41) SGMS2EDNRASGMS1
SCHEMBL2784102 0.69 SGMS2 (0.41) SGMS2EDNRASGMS1
SCHEMBL2440114 0.67 SENP7 (0.44) SGMS2SGMS1
SCHEMBL5126449 0.61 NPC1 (0.48) SGMS2EDNRAMAOB
SCHEMBL15119818 0.61 MAPT (0.44) CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 SGMS2 4737/4885FAAH 1283/4885MGLL 4547/4885

“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.