SCHEMBL19423585

SCHEMBL19423585

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ PPID Q08752 3/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ LTA4H P09960 1/20 0.39
▸ RIPK1 Q13546 5/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ AIMP2 Q13155 1/20 0.36
▸ PREP P48147 1/20 0.36

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
SCHEMBL19429950 0.87 PPID (0.43) CYP4F2CYP4A11PPIDTRPV1LTA4H
SCHEMBL19430092 0.85 PPID (0.43) PPIDTRPV1LTA4HPOLB
SCHEMBL19423582 0.85 PPID (0.53) PPIDLTA4HRAB9APOLB
SCHEMBL19429686 0.82 HRH3 (0.37) TRPV1RIPK1
SCHEMBL19423587 0.81 PPID (0.48) CYP4F2CYP4A11PPIDRAB9AL3MBTL1
SCHEMBL19423572 0.80 PPID (0.70) PPIDPREP
SCHEMBL19421503 0.76 PPID (0.68) CYP4F2CYP4A11PPIDRAB9AL3MBTL1
SCHEMBL19429951 0.76 PPID (0.68) CYP4F2CYP4A11PPIDRAB9AL3MBTL1
SCHEMBL19410030 0.76 PPID (0.68) CYP4F2CYP4A11PPIDRAB9AL3MBTL1
SCHEMBL19429945 0.72 PPID (0.47) PPIDLTA4HRAB9APOLB

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
US-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — US disclosed
WO-2017173048-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — WO 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 CYP4F2 683/4885CYP4A11 1023/4885PPID 17/4885

“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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