SCHEMBL19429765

SCHEMBL19429765

O=C(NCC(=O)N1CCCC1c1cccnc1)NCc1ccc2c(c1)OC[C@@H](O)N2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 13/20 0.50
▸ PPIG Q13427 5/20 0.42
▸ PPIB P23284 4/20 0.42
▸ ADAM17 P78536 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 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
SCHEMBL19423769 0.90 PPID (0.47) PPIDPPIGPPIBADAM17TDP1
SCHEMBL19423760 0.85 PPID (0.49) PPIDPPIGPPIBADAM17
SCHEMBL19429766 0.81 PPID (0.71) PPIDPPIGPPIB
SCHEMBL19421462 0.81 PPID (0.71) PPIDPPIGPPIB
SCHEMBL19410099 0.81 PPID (0.71) PPIDPPIGPPIB
SCHEMBL19429983 0.81 PPID (0.45) PPIDPPIGPPIB
SCHEMBL19429924 0.81 PPID (0.45) PPIDPPIGPPIB
SCHEMBL19423764 0.81 PPID (0.70) PPIDPPIGPPIB
SCHEMBL19423713 0.81 PPID (0.53) PPIDPPIGPPIB
SCHEMBL19423566 0.81 PPID (0.70) PPIDPPIGPPIB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — 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-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF PPIG, PPIH, FKBP2 PPID 17/4885PPIG 1/4885PPIB 15/4885

“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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