SCHEMBL19107368

SCHEMBL19107368

CC1CN(C(=O)c2ccccc2Cl)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ STS P08842 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ P2RX7 Q99572 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ SCD5 Q86SK9 1/20 0.39

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
SCHEMBL17328219 0.88 EPHX2 (0.43) POLBKDM4EEPHX2IDO1MAPT
SCHEMBL19107366 0.88 EPHX2 (0.43) POLBKDM4EEPHX2IDO1MAPT
SCHEMBL17328224 0.86 KMT2A (0.46) KDM4EALDH1A1MEN1KMT2ASCD5
SCHEMBL19107369 0.85 POLB (0.49) POLBALDH1A1EPHX2IDO1MEN1
SCHEMBL20058330 0.85 HPGD (0.42) POLBEPHX2IDO1MAPTTP53
SCHEMBL20598279 0.82 MEN1 (0.47) KDM4EALDH1A1MEN1KMT2ASCD5
SCHEMBL18785083 0.82 MEN1 (0.47) KDM4EALDH1A1MEN1KMT2ASCD5
SCHEMBL20598448 0.82 MEN1 (0.47) KDM4EALDH1A1MEN1KMT2ASCD5
SCHEMBL18785081 0.82 MEN1 (0.47) KDM4EALDH1A1MEN1KMT2ASCD5
SCHEMBL17328260 0.82 GPR119 (0.45) POLBALDH1A1EPHX2SCD5

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 POLB 1747/4885KDM4E 2379/4885ALDH1A1 1633/4885

“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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