SCHEMBL2735577

SCHEMBL2735577

CCNC(=O)C(N)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.46
TSHR P16473 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
USP2 O75604 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ARG1 P05089 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL8034816 1.00 DPP4 (0.46) DPP4TSHRDPP7ALDH1A1MAPT
SCHEMBL9965493 0.83 DPP4 (0.35) DPP4TSHRDPP7ALDH1A1MAPT
SCHEMBL12908822 0.83 ALDH1A1 (0.50) DPP4TSHRDPP7ALDH1A1MAPT
SCHEMBL19026679 0.80 TSHR (0.35) DPP4TSHRDPP7USP2MMP1
SCHEMBL19864496 0.80 TSHR (0.35) DPP4TSHRDPP7USP2MMP1
SCHEMBL23095553 0.80 TSHR (0.35) DPP4TSHRDPP7USP2MMP1
SCHEMBL32690449 0.79 DPP7 (0.53) DPP4DPP7USP2MMP2
SCHEMBL4126714 0.78 DPP4 (0.43) DPP4ALDH1A1MAPTPTGS1ARG1
SCHEMBL1337609 0.78 USP2 (0.50) DPP4TSHRDPP7ALDH1A1MAPT
SCHEMBL12898741 0.78 ALDH1A1 (0.50) DPP4ALDH1A1MAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596913-B Cannabinoid receptor modulators 艾尼纳制药公司 2016-11-09 CN claimed
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
CN-102596913-B Cannabinoid receptor modulators 艾尼纳制药公司 2016-11-09 CN disclosed
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 US disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 DPP4 4359/4885TSHR 1095/4885DPP7 3990/4885
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH DPP4 474/4885TSHR 357/4885DPP7 445/4885
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH DPP4 474/4885TSHR 357/4885DPP7 445/4885

“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.