SCHEMBL19096916

SCHEMBL19096916

CC1CN(C(=O)c2ccc(F)cc2F)CC2(CCN(C(=O)O)CC2)O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CPS1 P31327 5/20 0.43
▸ CNR1 P21554 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ DPP4 P27487 1/20 0.37

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
SCHEMBL19096884 0.92 CNR1 (0.41) CNR1NPC1MEN1KMT2ATSHR
SCHEMBL20058482 0.90 CPS1 (0.44) CPS1CNR1KDM4EMEN1KMT2A
SCHEMBL19096862 0.87 MEN1 (0.44) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL19107367 0.86 CPS1 (0.42) CPS1CNR1SMN1; SMN2LMNA
SCHEMBL19096913 0.83 HPGD (0.47) KDM4ENPC1MEN1KMT2ATSHR
SCHEMBL19096875 0.83 MAPK1 (0.51) MEN1KMT2ASMN1; SMN2MAPK1TSHR
SCHEMBL19096894 0.81 LMNA (0.44) KMT2ALMNAHTT
SCHEMBL17318855 0.78 OPRM1 (0.44) KDM4E
SCHEMBL19096873 0.78 HPGD (0.50) KDM4ENPC1MEN1KMT2ASMN1; SMN2
SCHEMBL19107364 0.78 PARP1 (0.43) SMN1; SMN2LMNA

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 CPS1 1453/4885CNR1 16/4885KDM4E 2379/4885
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 CPS1 1453/4885CNR1 16/4885KDM4E 2379/4885

“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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