SCHEMBL13873675

SCHEMBL13873675

O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(c2ccncc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.60
▸ EPHX2 P34913 1/20 0.60
▸ CYP2J2 P51589 1/20 0.60
▸ HRH3 Q9Y5N1 4/20 0.60
▸ PDE4B Q07343 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ NPC1 O15118 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ BCL9 O00512 1/20 0.47
▸ CTNNB1 P35222 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
SCHEMBL13873648 0.89 HRH3 (0.57) CYP2C9EPHX2CYP2J2HRH3PDE4B
SCHEMBL13873620 0.82 EPHX2 (0.61) CYP2C9EPHX2CYP2J2HRH3SMN1; SMN2
SCHEMBL13873841 0.79 EPHX2 (0.68) CYP2C9EPHX2CYP2J2PDE4BMAPK14
SCHEMBL13873671 0.79 CYP2C9 (0.57) CYP2C9EPHX2CYP2J2HRH3PDE4B
SCHEMBL13873845 0.78 EPHX2 (0.61) CYP2C9EPHX2CYP2J2PDE4BSMN1; SMN2
SCHEMBL13873609 0.78 MEN1 (0.56) CYP2C9HRH3LMNACYP3A4HTT
SCHEMBL13873842 0.78 ALDH1A1 (0.54) CYP2C9EPHX2CYP2J2SMN1; SMN2LMNA
SCHEMBL13873852 0.78 CYP2C9 (0.66) CYP2C9EPHX2CYP2J2PDE4BSMN1; SMN2
SCHEMBL13873851 0.78 EPHX2 (0.53) CYP2C9EPHX2CYP2J2PDE4BSMN1; SMN2
SCHEMBL13873636 0.77 MEN1 (0.61) HRH3SMN1; SMN2MMP13GLAMEN1

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 CYP2C9 477/4885EPHX2 2/4885CYP2J2 405/4885

“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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