SCHEMBL19096884

SCHEMBL19096884

CC1CN(C(=O)c2cc(F)ccc2F)CC2(CCN(C(=O)O)CC2)O1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ PDE2A O00408 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL19096916 0.92 CPS1 (0.43) CNR1ALDH1A1PDE2AMEN1KMT2A
SCHEMBL19096862 0.87 MEN1 (0.44) ALDH1A1PKMMEN1KMT2ATSHR
SCHEMBL19107364 0.86 PARP1 (0.43) MAPTLMNA
SCHEMBL19096913 0.83 HPGD (0.47) PDE2AMEN1KMT2ATSHRNPC1
SCHEMBL19096875 0.83 MAPK1 (0.51) ALDH1A1MEN1KMT2ATSHR
SCHEMBL20058482 0.82 CPS1 (0.44) CNR1ALDH1A1PDE2AMEN1KMT2A
SCHEMBL19096894 0.81 LMNA (0.44) KMT2ALMNA
SCHEMBL17319088 0.78 SIGMAR1 (0.44) OPRM1SIGMAR1
SCHEMBL19096873 0.78 HPGD (0.50) ALDH1A1MEN1KMT2ANPC1
SCHEMBL19107367 0.78 CPS1 (0.42) CNR1MAPTLMNA

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 CNR1 16/4885ALDH1A1 1633/4885MAPT 4178/4885
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 CNR1 16/4885ALDH1A1 1633/4885MAPT 4178/4885

“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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