SCHEMBL13873842

SCHEMBL13873842

COc1ccc(CCNC(=O)N2CCC(c3ccncc3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 2/20 0.53
▸ CYP2C9 P11712 1/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ CYP2J2 P51589 1/20 0.51
▸ CHRM4 P08173 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ MMP7 P09237 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL13873813 0.89 KMT2A (0.54) ALDH1A1RAB9ALMNAPOLBCHRM4
SCHEMBL13873671 0.87 CYP2C9 (0.57) ALDH1A1RAB9ALMNAPOLBCYP2C9
SCHEMBL13873670 0.87 LMNA (0.55) ALDH1A1RAB9ALMNACYP2C9EPHX2
SCHEMBL13873851 0.85 EPHX2 (0.53) ALDH1A1RAB9ALMNAPOLBCYP2C9
SCHEMBL13873832 0.85 CYP2C9 (0.58) ALDH1A1RAB9ALMNAPOLBCYP2C9
SCHEMBL13873788 0.83 MAPT (0.62) ALDH1A1POLBCYP2C9EPHX2CYP2J2
SCHEMBL13873672 0.82 EPHX2 (0.52) ALDH1A1RAB9ALMNAPOLBCYP2C9
SCHEMBL13873674 0.81 CYP2C9 (0.48) ALDH1A1RAB9ALMNAPOLBCYP2C9
SCHEMBL13873798 0.80 SMN1; SMN2 (0.57) ALDH1A1RAB9APOLBNPC1MMP1
SCHEMBL13873646 0.80 HSD11B1 (0.49) ALDH1A1RAB9ACYP2C9EPHX2CYP2J2

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 ALDH1A1 385/4885RAB9A 3811/4885LMNA 3647/4885

“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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