SCHEMBL18943231

SCHEMBL18943231

CCOC(CCCNC(=O)c1ccc(CNC2(C(=O)O)Cc3ccccc3C2)s1)OCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.39
▸ EPHX2 P34913 2/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CXCR5 P32302 4/20 0.35
▸ ACKR3 P25106 4/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ TP53 P04637 1/20 0.33

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
SCHEMBL23223983 0.89 EPHX1 (0.38) EPHX1EPHX2RAB9ASMN1; SMN2NPC1
SCHEMBL18918513 0.83 CHRM3 (0.37) EPHX2
SCHEMBL18271811 0.74 EPHX1 (0.46) EPHX1RAB9ASMN1; SMN2NPC1USP2
SCHEMBL23223708 0.70 ADRB2 (0.42) RAB9ASMN1; SMN2NPC1USP2L3MBTL1
SCHEMBL18918551 0.69 EPHX1 (0.43) EPHX1RAB9ASMN1; SMN2NPC1USP2
SCHEMBL23198044 0.69 ADRB2 (0.62) —
SCHEMBL560070 0.67 HTT (0.55) EPHX1KMT2AHPGD
SCHEMBL29798859 0.65 NPC1 (0.58) EPHX1RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL18946463 0.64 EPHX1 (0.40) EPHX1RAB9ASMN1; SMN2NPC1NAMPT
SCHEMBL23223706 0.64 GAA (0.39) EPHX1EPHX2RAB9ASMN1; SMN2NPC1

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-9932338-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-03 — — US disclosed
US-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — US disclosed
WO-2017093208-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — 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-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B EPHX1 1279/4885EPHX2 793/4885RAB9A 2481/4885

“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.

Send feedback