SCHEMBL19429686

SCHEMBL19429686

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.37
▸ CCR1 P32246 4/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ LTB4R Q15722 2/20 0.35
▸ LTB4R2 Q9NPC1 2/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP10 P09238 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ RIPK1 Q13546 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL19430061 0.83 PPID (0.38) HRH3CCR1SMYD3MMP2MMP3
SCHEMBL19423717 0.83 ALDH1A1 (0.38) HRH3SMYD3TRPV1GAAALDH1A1
SCHEMBL19423585 0.82 CYP4F2 (0.43) TRPV1RIPK1
SCHEMBL19430058 0.78 PPID (0.60) HRH3CCR1SMYD3MMP2MMP3
SCHEMBL19421470 0.78 PPID (0.60) HRH3CCR1SMYD3MMP2MMP3
SCHEMBL19429687 0.78 PPID (0.60) HRH3CCR1SMYD3MMP2MMP3
SCHEMBL19410079 0.78 PPID (0.60) HRH3CCR1SMYD3MMP2MMP3
SCHEMBL19410081 0.78 PPID (0.60) HRH3CCR1SMYD3MMP2MMP3
SCHEMBL19421453 0.78 PPID (0.60) HRH3CCR1SMYD3MMP2MMP3
SCHEMBL19416126 0.75 IAPP (0.45) HRH3TRPV1GAAALDH1A1

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 HRH3 3541/4885CCR1 2861/4885SMYD3 4308/4885

“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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