SCHEMBL19096862

SCHEMBL19096862

CC1CN(C(=O)c2ccccc2F)CC2(CCN(C(=O)O)CC2)O1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HTT P42858 2/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ USP2 O75604 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 0.91 HPGD (0.47) MEN1KMT2AKDM4EHTTEPHX2
SCHEMBL20058430 0.90 KDM4E (0.45) MEN1KMT2AKDM4EHTTEPHX2
SCHEMBL19096894 0.88 LMNA (0.44) KMT2AHTTEPHX2CYP2C9CYP2C19
SCHEMBL19096916 0.87 CPS1 (0.43) MEN1KMT2AKDM4EHTTTSHR
SCHEMBL19096884 0.87 CNR1 (0.41) MEN1KMT2ATSHRPKMALDH1A1
SCHEMBL19107366 0.86 EPHX2 (0.43) KDM4EEPHX2TP53
SCHEMBL17328219 0.86 EPHX2 (0.43) KDM4EEPHX2TP53
SCHEMBL19096873 0.85 HPGD (0.50) MEN1KMT2AKDM4EEPHX2MGLL
SCHEMBL19096875 0.81 MAPK1 (0.51) MEN1KMT2ACYP2C9CYP2C19TSHR
SCHEMBL19096816 0.80 HTT (0.45) MEN1KMT2AKDM4EHTTEPHX2

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 MEN1 4707/4885KMT2A 4180/4885KDM4E 2379/4885
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 MEN1 4707/4885KMT2A 4180/4885KDM4E 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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