SCHEMBL13873199

SCHEMBL13873199

CC(C)(C)NC(=O)N1CCC(Cc2cccnc2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.54
VNN1 O95497 5/20 0.48
TACR3 P29371 1/20 0.45
FAAH O00519 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL13873252 0.93 FAAH (0.49) SPRVNN1FAAHALDH1A1MEN1
SCHEMBL13551812 0.86 TACR3 (0.61) TACR3FAAHCYP2C9ALDH1A1MEN1
SCHEMBL23791367 0.82 GPR119 (0.59) SPRVNN1TACR3LMNACHRM2
SCHEMBL13873601 0.82 SPR (0.54) SPRVNN1TACR3FAAHCYP3A4
SCHEMBL18714672 0.82 GPR119 (0.59) SPRVNN1TACR3LMNACHRM2
SCHEMBL14413263 0.81 SPR (0.60) SPRVNN1TACR3CYP3A4CYP2D6
SCHEMBL13873600 0.80 SPR (0.52) SPRVNN1TACR3CYP3A4CYP2D6
SCHEMBL22317619 0.80 CYP3A4 (0.52) SPRVNN1FAAHCYP3A4CYP2C9
SCHEMBL13873606 0.79 SPR (0.52) SPRVNN1TACR3FAAHCYP3A4
SCHEMBL17886782 0.79 SPR (0.56) SPRVNN1ALDH1A1MEN1KMT2A

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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 SPR 61/4885VNN1 966/4885TACR3 3161/4885

“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.