SCHEMBL13873797

SCHEMBL13873797

COc1ccc(CC2CCN(C(=O)NCc3cccc(CC(F)(F)F)c3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CCR3 P51677 7/20 0.49
▸ GLA P06280 1/20 0.47
▸ CHRNA7 P36544 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP7 P09237 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ PKM P14618 1/20 0.44

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
SCHEMBL13874085 0.89 CCR3 (0.51) MEN1KMT2ASMN1; SMN2CCR3GLA
SCHEMBL13873636 0.81 MEN1 (0.61) MEN1KMT2ASMN1; SMN2CCR3GLA
SCHEMBL13873799 0.80 CHRNA7 (0.52) MEN1KMT2ASMN1; SMN2CCR3GLA
SCHEMBL13873808 0.79 MEN1 (0.52) MEN1KMT2ASMN1; SMN2CCR3GLA
SCHEMBL13873627 0.79 EPHX2 (0.61) MEN1KMT2ASMN1; SMN2CCR3GLA
SCHEMBL13873630 0.77 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2MMP1MMP3
SCHEMBL13873626 0.77 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CCR3GLA
SCHEMBL24449599 0.77 GLA (0.53) MEN1KMT2ASMN1; SMN2GLACHRNA7
SCHEMBL13873798 0.77 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2NPC1MMP1
SCHEMBL13874097 0.76 EPHX2 (0.55) SMN1; SMN2CCR3PKM

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 MEN1 4174/4885KMT2A 3145/4885SMN1; SMN2 4277/4885

“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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