SCHEMBL19423583

SCHEMBL19423583

CC[C@H]1OC[C@@H](O)Nc2ccc(CNC(=O)NCC(=O)N3CCCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 13/20 0.47
▸ PPIB P23284 2/20 0.40
▸ AVPR2 P30518 2/20 0.36
▸ PRMT3 O60678 3/20 0.35
▸ BAZ1A Q9NRL2 1/20 0.35
▸ PPIG Q13427 1/20 0.35

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
SCHEMBL19423587 0.86 PPID (0.48) PPID
SCHEMBL19423719 0.86 PPID (0.50) PPIDPPIBPPIG
SCHEMBL19423577 0.86 PPID (0.50) PPIDPPIBPPIG
SCHEMBL19423565 0.84 PPID (0.48) PPIDPPIBAVPR2PRMT3PPIG
SCHEMBL19430173 0.84 PPID (0.48) PPIDPPIBAVPR2PRMT3PPIG
SCHEMBL19423809 0.84 PPID (0.49) PPIDPPIBPPIG
SCHEMBL19430068 0.84 PPID (0.49) PPIDPPIBPPIG
SCHEMBL19423765 0.82 PPID (0.73) PPIDPPIBPPIG
SCHEMBL19429982 0.82 PPID (0.73) PPIDPPIBPPIG
SCHEMBL19429758 0.82 PPID (0.73) PPIDPPIBPPIG

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
WO-2017173048-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — WO disclosed
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 17/4885PPIB 15/4885AVPR2 3530/4885

“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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