SCHEMBL17328271

SCHEMBL17328271

CC1CN(C(=O)c2ccccc2)CC2(CCN(CC(=O)N3CCCCC3)CC2)O1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
CHRM3 P20309 2/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 6/20 0.44
SIGMAR1 Q99720 1/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
NPC1L1 Q9UHC9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
ACHE P22303 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
Hydrochloric Acid SCHEMBL19096911 0.99 ALDH1A1 (0.46) CHRM2CHRM3HPGDALDH1A1SIGMAR1
SCHEMBL17318854 0.91 CHRM2 (0.48) CHRM2CHRM3HPGDALDH1A1MAPT
Hydrochloric Acid SCHEMBL19096855 0.90 CHRM2 (0.48) CHRM2CHRM3HPGDALDH1A1MAPT
SCHEMBL21391262 0.85 CHRM2 (0.49) CHRM2CHRM3HPGDALDH1A1SIGMAR1
SCHEMBL17318776 0.83 CHRM2 (0.61) CHRM2CHRM3ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL17318786 0.82 CHRM2 (0.60) CHRM2CHRM3ALDH1A1KMT2AMEN1
SCHEMBL19096873 0.81 HPGD (0.50) CHRM2CHRM3HPGDALDH1A1KMT2A
SCHEMBL20058423 0.81 ALDH1A1 (0.50) CHRM2CHRM3HPGDALDH1A1MAPT
SCHEMBL17318795 0.81 CHRM2 (0.46) CHRM2CHRM3HPGDALDH1A1SIGMAR1
SCHEMBL17318994 0.81 SIGMAR1 (0.57) SIGMAR1KMT2AMEN1

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 8 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 claimed
EP-3149005-B1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE LABOR DR (ES) 2018-04-18 EP claimed
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 claimed
EP-3149005-B1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE LABOR DR (ES) 2018-04-18 EP disclosed
EP-3149005-B1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE LABOR DR (ES) 2018-04-18 EP 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
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
WO-2015185208-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-12-10 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 (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 CHRM2 211/4885CHRM3 206/4885HPGD 2717/4885
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 CHRM2 211/4885CHRM3 206/4885HPGD 2717/4885

“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.