SCHEMBL13873780

SCHEMBL13873780

C[C@H](CNC(=O)N1CCC(Cc2cccnc2)C1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ C3AR1 Q16581 3/20 0.45
▸ TACR3 P29371 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ VNN1 O95497 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL13873862 0.94 MEN1 (0.54) L3MBTL1KMT2AMEN1POLBC3AR1
SCHEMBL13873817 0.83 PRMT5 (0.56) SPRCYP3A4CYP2C9LMNA
SCHEMBL13873600 0.83 SPR (0.52) SPRKMT2AMEN1TACR3CYP3A4
SCHEMBL13873803 0.81 MEN1 (0.56) KMT2AMEN1POLBTACR3LMNA
SCHEMBL13873601 0.80 SPR (0.54) SPRKMT2AMEN1TACR3CYP3A4
SCHEMBL13873779 0.79 EPHX2 (0.62) SPRKMT2AMEN1C3AR1CYP2C9
SCHEMBL13873781 0.78 SPR (0.48) SPRKMT2AMEN1TACR3CYP3A4
SCHEMBL13873199 0.78 SPR (0.54) SPRKMT2AMEN1TACR3CYP3A4
SCHEMBL13873778 0.78 MEN1 (0.51) SPRKMT2AMEN1TACR3CYP3A4
SCHEMBL13873609 0.78 MEN1 (0.56) SPRKMT2AMEN1CYP3A4CYP2D6

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 3 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
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 — — 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 SPR 61/4885L3MBTL1 4749/4885KMT2A 3145/4885

“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.

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