SCHEMBL14076644

SCHEMBL14076644

CN1CCCN(C(=O)C/N=C2/NC(=O)N(c3ccc4[nH]cnc4c3)C2c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 16/20 0.52
▸ QPCTL Q9NXS2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ STING1 Q86WV6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14076645 0.87 QPCT (0.37) QPCTQPCTL
SCHEMBL14217795 0.86 QPCT (0.54) QPCTQPCTLALDH1A1
SCHEMBL14076362 0.81 QPCT (0.66) QPCTQPCTLSTING1ALDH1A1SMN1; SMN2
SCHEMBL5053507 0.81 QPCT (0.66) QPCTQPCTLSTING1ALDH1A1SMN1; SMN2
SCHEMBL5056594 0.79 QPCT (0.39) QPCTQPCTLHPGDALDH1A1SMN1; SMN2
SCHEMBL5056589 0.79 QPCT (0.39) QPCTQPCTLHPGDALDH1A1SMN1; SMN2
SCHEMBL5063838 0.78 QPCT (0.42) QPCTQPCTL
SCHEMBL14076637 0.78 QPCT (0.42) QPCTQPCTL
SCHEMBL5056712 0.78 QPCT (0.64) QPCTQPCTLSTING1ALDH1A1SMN1; SMN2
SCHEMBL14076537 0.78 QPCT (0.64) QPCTQPCTLSTING1ALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — 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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL QPCT 9/4885QPCTL 57/4885HPGD 811/4885

“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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