SCHEMBL19429945

SCHEMBL19429945

CC[C@H]1Nc2ccc(CNC(=O)NCC(=O)N3CCCC3)cc2OC[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 8/20 0.47
▸ PPIB P23284 2/20 0.40
▸ LTA4H P09960 1/20 0.38
▸ AVPR2 P30518 2/20 0.36
▸ PRMT3 O60678 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PPIG Q13427 1/20 0.33

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
SCHEMBL19423582 0.87 PPID (0.53) PPIDPPIBLTA4HAVPR2PRMT3
SCHEMBL19429950 0.86 PPID (0.43) PPIDLTA4HHPGDPOLB
SCHEMBL19423718 0.86 PPID (0.45) PPIDPPIBMEN1KMT2ARAB9A
SCHEMBL19423575 0.86 PPID (0.45) PPIDPPIBMEN1KMT2ARAB9A
SCHEMBL19423570 0.82 PPID (0.68) PPIDPPIBPPIG
SCHEMBL19423769 0.80 PPID (0.47) PPIDPPIBALDH1A1KMT2APPIG
SCHEMBL19423670 0.77 PPIB (0.35) PPIDPPIBALDH1A1HPGDMEN1
SCHEMBL19423584 0.77 PPID (0.55) PPIDPPIBLTA4HAVPR2PRMT3
SCHEMBL19423583 0.76 PPID (0.47) PPIDPPIBAVPR2PRMT3PPIG
SCHEMBL19410045 0.73 PPID (0.75) PPIDPPIBLTA4HAVPR2PRMT3

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 17/4885PPIB 15/4885LTA4H 1536/4885

“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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