SCHEMBL19096894

SCHEMBL19096894

CC1CN(C(=O)c2c(F)cccc2F)CC2(CCN(C(=O)O)CC2)O1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ EPHX2 P34913 11/20 0.43
▸ SPR P35270 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 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
SCHEMBL19096913 0.88 HPGD (0.47) EPHX2SPRKMT2AHTTCYP2C9
SCHEMBL19096862 0.88 MEN1 (0.44) LMNAEPHX2KMT2AHTTCYP2C9
SCHEMBL19096875 0.86 MAPK1 (0.51) KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17328247 0.85 EPHX2 (0.42) LMNAEPHX2SPRCYP1A2CYP2C9
SCHEMBL19096873 0.83 HPGD (0.50) EPHX2KMT2A
SCHEMBL19096884 0.81 CNR1 (0.41) LMNAKMT2A
SCHEMBL19096916 0.81 CPS1 (0.43) LMNAKMT2AHTT
SCHEMBL17318845 0.79 SIGMAR1 (0.47) EPHX2
SCHEMBL17318769 0.79 SIGMAR1 (0.47) EPHX2
SCHEMBL17318767 0.79 SIGMAR1 (0.47) EPHX2

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 LMNA 4163/4885EPHX2 2094/4885SPR 3473/4885
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 LMNA 4163/4885EPHX2 2094/4885SPR 3473/4885

“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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