SCHEMBL19423582

SCHEMBL19423582

O=C(NCC(=O)N1CCCC1)NCc1ccc2c(c1)OC[C@@H](O)N2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 7/20 0.53
▸ LTA4H P09960 1/20 0.42
▸ PPIB P23284 1/20 0.39
▸ PRMT3 O60678 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AVPR2 P30518 2/20 0.37
▸ BAZ1A Q9NRL2 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL19429945 0.87 PPID (0.47) PPIDLTA4HPPIBPRMT3RAB9A
SCHEMBL19430092 0.86 PPID (0.43) PPIDLTA4HMEN1POLBKMT2A
SCHEMBL19423585 0.85 CYP4F2 (0.43) PPIDLTA4HRAB9APOLB
SCHEMBL19429983 0.84 PPID (0.45) PPIDPPIBMEN1POLBKMT2A
SCHEMBL19429924 0.84 PPID (0.45) PPIDPPIBMEN1POLBKMT2A
SCHEMBL19429764 0.82 PPID (0.44) PPIDPPIBMEN1POLBKMT2A
SCHEMBL19423584 0.81 PPID (0.55) PPIDLTA4HPPIBPRMT3RAB9A
SCHEMBL19423583 0.81 PPID (0.47) PPIDPPIBPRMT3AVPR2BAZ1A
SCHEMBL19423764 0.79 PPID (0.70) PPIDPPIB
SCHEMBL19423566 0.79 PPID (0.70) PPIDPPIB

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 PPID 17/4885LTA4H 1536/4885PPIB 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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