SCHEMBL4127016

SCHEMBL4127016

CC(C)NC(=O)C(N)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 10/20 0.62
▸ DPP8 Q6V1X1 3/20 0.38
▸ DPP9 Q86TI2 3/20 0.38
▸ FAP Q12884 2/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ TSHR P16473 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL21661368 0.84 DPP4 (0.46) DPP4DPP8DPP9FAPDPP7
SCHEMBL12732485 0.82 DPP4 (0.58) DPP4DPP8DPP9FAPDPP7
SCHEMBL19845903 0.79 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL19000043 0.79 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL19000008 0.79 DPP4 (0.41) DPP4DPP8DPP9FAPDPP7
SCHEMBL19334938 0.79 DPP4 (0.66) DPP4DPP8DPP9FAPDPP7
SCHEMBL11907188 0.76 DPP4 (0.52) DPP4DPP8DPP9FAPDPP7
SCHEMBL30853669 0.76 DPP4 (0.52) DPP4ALDH1A1MAPTPTGS1CA2
SCHEMBL30811203 0.76 DPP4 (0.51) DPP4TSHRALDH1A1MAPTPTGS1
SCHEMBL31520397 0.76 DPP4 (0.51) DPP4DPP8DPP9FAPDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 — — US claimed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 — — US claimed
US-20170333461-A1 PEPTIDOMIMETIC INHIBITORS OF POST-PROLINE CLEAVING ENZYMES BACH BIOSCIENCES, LLC 2017-11-23 — — US disclosed
US-9757400-B2 Peptidomimetic inhibitors of post-proline cleaving enzymes TRUSTEES OF TUFTS COLLEGE (US) 2017-09-12 — — US disclosed
US-20160158260-A1 Peptidomimetic Inhibitors of Post-Proline Cleaving Enzymes BACH BIOSCIENCES, LLC 2016-06-09 — — US disclosed
US-20110082108-A1 Peptidomimetic Inhibitors of Post-Proline Cleaving Enzymes TRUSTEES OF TUFTS COLLEGE (US) 2011-04-07 — — US disclosed
US-7727964-B2 Peptidomimetic inhibitors of post-proline cleaving enzymes TRUSTEES OF TUFTS COLLEGE (US) 2010-06-01 — — 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 (4 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 DPP4 4359/4885DPP8 3805/4885DPP9 4313/4885
US-20110082108-A1 Peptidomimetic Inhibitors of Post-Proline Cleaving Enzymes PREP, PEPD, DNPEP DPP4 4/4885DPP8 11/4885DPP9 8/4885
US-20170333461-A1 PEPTIDOMIMETIC INHIBITORS OF POST-PROLINE CLEAVING ENZYMES PREP, PEPD, DNPEP DPP4 5/4885DPP8 11/4885DPP9 9/4885
US-20160158260-A1 Peptidomimetic Inhibitors of Post-Proline Cleaving Enzymes PREP, PEPD, DNPEP DPP4 5/4885DPP8 11/4885DPP9 9/4885

“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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