SCHEMBL19429687

SCHEMBL19429687

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 10/20 0.60
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CCR1 P32246 3/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP10 P09238 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 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
SCHEMBL19410081 1.00 PPID (0.60) PPIDHRH3CCR1SMYD3MMP2
SCHEMBL19410079 1.00 PPID (0.60) PPIDHRH3CCR1SMYD3MMP2
SCHEMBL19421470 1.00 PPID (0.60) PPIDHRH3CCR1SMYD3MMP2
SCHEMBL19421453 1.00 PPID (0.60) PPIDHRH3CCR1SMYD3MMP2
SCHEMBL19430058 1.00 PPID (0.60) PPIDHRH3CCR1SMYD3MMP2
SCHEMBL19410030 0.83 PPID (0.68) PPID
SCHEMBL19429951 0.83 PPID (0.68) PPID
SCHEMBL19421503 0.83 PPID (0.68) PPID
SCHEMBL19430061 0.81 PPID (0.38) PPIDHRH3CCR1SMYD3MMP2
SCHEMBL19429686 0.78 HRH3 (0.37) HRH3CCR1SMYD3MMP2MMP3

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 17/4885HRH3 3541/4885CCR1 2861/4885

“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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