SCHEMBL19429951

SCHEMBL19429951

O=C(CCc1ccc2c(c1)[C@H]1C[C@H](N2)[C@H](O)CO1)NCC(=O)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 12/20 0.68
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PREP P48147 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
SCHEMBL19410030 1.00 PPID (0.68) PPIDCYP4F2CYP4A11RAB9AL3MBTL1
SCHEMBL19421503 1.00 PPID (0.68) PPIDCYP4F2CYP4A11RAB9AL3MBTL1
SCHEMBL19421458 0.86 PPID (0.75) PPIDRAB9A
SCHEMBL19429940 0.86 PPID (0.75) PPIDRAB9A
SCHEMBL19410045 0.86 PPID (0.75) PPIDRAB9A
SCHEMBL19429687 0.83 PPID (0.60) PPID
SCHEMBL19421470 0.83 PPID (0.60) PPID
SCHEMBL19430058 0.83 PPID (0.60) PPID
SCHEMBL19410081 0.83 PPID (0.60) PPID
SCHEMBL19421453 0.83 PPID (0.60) PPID

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 17/4885CYP4F2 683/4885CYP4A11 1023/4885

“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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