SCHEMBL12101415

SCHEMBL12101415

CO[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)CN(C)CC3(C)C)N(C(=O)Nc2ccc(Cl)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 6/20 0.52
▸ KLKB1 P03952 4/20 0.46
▸ WEE1 P30291 3/20 0.36
▸ BACE1 P56817 3/20 0.35
▸ APP P05067 1/20 0.35
▸ CFD P00746 2/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL12101320 0.88 F10 (0.54) F10KLKB1CFDNAMPT
SCHEMBL12101303 0.85 F10 (0.52) F10KLKB1BACE1APPCFD
SCHEMBL13104190 0.84 F10 (0.52) F10KLKB1BACE1APPCFD
SCHEMBL12101301 0.81 F10 (0.53) F10KLKB1CFD
SCHEMBL12101289 0.81 F10 (0.53) F10KLKB1CFD
SCHEMBL13104189 0.80 F10 (0.54) F10KLKB1CFDNAMPT
SCHEMBL12101343 0.80 F10 (0.54) F10KLKB1BACE1APPCFD
SCHEMBL3834917 0.79 F10 (0.63) F10KLKB1
SCHEMBL13104192 0.79 F10 (0.46) F10KLKB1BACE1APPCFD
SCHEMBL8220143 0.79 F10 (0.46) F10KLKB1BACE1APPCFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 — — EP disclosed
US-7807693-B2 Substituted prolinamides, manufacturing, and the use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 — — US disclosed
US-7807693-B2 Substituted prolinamides, manufacturing, and the use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 — — US disclosed
US-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2008-06-12 — — US disclosed
US-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2008-06-12 — — 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-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS PPID, PREP, P4HA1 F10 2294/4885KLKB1 1925/4885WEE1 1854/4885

“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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