SCHEMBL19096929

SCHEMBL19096929

CC1CN(C(=O)c2ccccn2)CC2(CCN(C(=O)O)CC2)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ EPHX2 P34913 3/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ RBP4 P02753 2/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL20058481 0.90 L3MBTL1 (0.49) L3MBTL1EPHX2CHRNB2CHRNB4CHRNA3
SCHEMBL17328260 0.86 GPR119 (0.45) L3MBTL1EPHX2CHRNB2CHRNB4CHRNA3
SCHEMBL17328262 0.85 SIGMAR1 (0.56) KCNH2
SCHEMBL17328242 0.85 SIGMAR1 (0.56) KCNH2
SCHEMBL17328241 0.85 SIGMAR1 (0.56) KCNH2
Hydrochloric Acid SCHEMBL17318861 0.84 SIGMAR1 (0.55) KCNH2
Hydrochloric Acid SCHEMBL17318856 0.84 SIGMAR1 (0.55) KCNH2
Hydrochloric Acid SCHEMBL19096942 0.84 SIGMAR1 (0.55) KCNH2
SCHEMBL19096873 0.84 HPGD (0.50) EPHX2SMN1; SMN2ALDH1A1PLA2G1BATG4B
SCHEMBL19096874 0.80 EPHX2 (0.62) L3MBTL1EPHX2SMN1; SMN2ALDH1A1

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-10065971-B2 Amide derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS S.A. (ES) 2018-09-04 — — US disclosed
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-07-13 — — 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 (2 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-10065971-B2 Amide derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain OPRD1, SIGMAR1, OPRM1 L3MBTL1 2908/4885EPHX2 2094/4885CHRNB2 76/4885
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 L3MBTL1 2908/4885EPHX2 2094/4885CHRNB2 76/4885

“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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