SCHEMBL14368972

SCHEMBL14368972

O=C(N[C@@H]1CCCC[C@@H]1CN1CCCCC1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.52
▸ CASP3 P42574 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ DPP4 P27487 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ DPP7 Q9UHL4 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CPB1 P15086 2/20 0.47
▸ CTSL P07711 2/20 0.47
▸ CTSB P07858 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CCR3 P51677 3/20 0.47
▸ TSHR P16473 1/20 0.46
▸ CTSS P25774 1/20 0.46

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
SCHEMBL28783281 1.00 EPHX1 (0.52) EPHX1CASP3ALDH1A1DPP4KCNH2
SCHEMBL14392696 1.00 EPHX1 (0.52) EPHX1CASP3ALDH1A1DPP4KCNH2
SCHEMBL14368638 1.00 EPHX1 (0.52) EPHX1CASP3ALDH1A1DPP4KCNH2
SCHEMBL26253804 0.84 EPHX1 (0.57) EPHX1CASP3ALDH1A1MEN1KMT2A
SCHEMBL14368746 0.83 EPHX2 (0.56) ALDH1A1MEN1KMT2ACCR3
SCHEMBL28944413 0.83 EPHX2 (0.56) ALDH1A1MEN1KMT2ACCR3
SCHEMBL14392357 0.83 EPHX1 (0.55) EPHX1CASP3ALDH1A1MEN1KMT2A
SCHEMBL19515030 0.83 EPHX1 (0.55) EPHX1CASP3ALDH1A1MEN1KMT2A
SCHEMBL14368969 0.83 EPHX1 (0.55) EPHX1CASP3ALDH1A1MEN1KMT2A
SCHEMBL3883687 0.83 EPHX1 (0.55) EPHX1CASP3ALDH1A1MEN1KMT2A

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
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 — — WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 EPHX1 1536/4885CASP3 1742/4885ALDH1A1 1047/4885

“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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