SCHEMBL416579

SCHEMBL416579

COC(=O)[C@@H]1CC(OC(=O)N2CCc3ccccc3C2)CN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 1/20 0.49
MMP1 P03956 1/20 0.49
ERBB2 P04626 1/20 0.49
NOTUM Q6P988 1/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
ABHD6 Q9BV23 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL7857753 1.00 ADAM10 (0.49) ADAM10MMP1ERBB2NOTUMNPC1
SCHEMBL2098675 1.00 ADAM10 (0.49) ADAM10MMP1ERBB2NOTUMNPC1
SCHEMBL2098781 1.00 ADAM10 (0.49) ADAM10MMP1ERBB2NOTUMNPC1
SCHEMBL2098678 1.00 ADAM10 (0.49) ADAM10MMP1ERBB2NOTUMNPC1
SCHEMBL8190780 0.92 ADAM10 (0.51) ADAM10MMP1ERBB2NOTUMDPP8
SCHEMBL8199546 0.92 ADAM10 (0.51) ADAM10MMP1ERBB2NOTUMDPP8
Hydrochloric Acid SCHEMBL4406305 0.91 ADAM10 (0.50) ADAM10MMP1ERBB2NOTUMDPP8
SCHEMBL8060188 0.81 DPP8 (0.43) ADAM10MMP1ERBB2ABHD6DPP8
SCHEMBL8193679 0.81 DPP8 (0.43) ADAM10MMP1ERBB2ABHD6DPP8
Hydrochloric Acid SCHEMBL4584873 0.80 DPP8 (0.42) ADAM10MMP1ERBB2ABHD6DPP8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 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 (3 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD ADAM10 203/4885MMP1 524/4885ERBB2 4722/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD ADAM10 203/4885MMP1 524/4885ERBB2 4722/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP ADAM10 121/4885MMP1 276/4885ERBB2 4563/4885

“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.