SCHEMBL4125720

SCHEMBL4125720

CC(C)(C)C([NH])C(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.41
DPP4 P27487 3/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
ALDH1A1 P00352 6/20 0.36
YEATS4 O95619 1/20 0.36
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4128646 0.98 DPP7 (0.43) DPP7DPP4MMP1MMP2MMP8
SCHEMBL4121713 0.96 ALDH1A1 (0.38) DPP7DPP4MMP1MMP2MMP8
SCHEMBL4108525 0.83 CYP1A2 (0.45) HPGDNPC1CYP1A2
SCHEMBL4121680 0.82 SMN1; SMN2 (0.46) ALDH1A1HTTSMN1; SMN2RAB9AMEN1
SCHEMBL4114010 0.79 CA12 (0.41) DPP7DPP4SMN1; SMN2MAPT
SCHEMBL15471535 0.76 HPGD (0.40) DPP7DPP4MMP1MMP2MMP8
SCHEMBL22472889 0.76 ALDH1A1 (0.42) DPP7DPP4MMP1MMP2MMP8
SCHEMBL12336187 0.76 HPGD (0.40) DPP7DPP4MMP1MMP2MMP8
SCHEMBL4123185 0.75 DPP4 (0.35) DPP4
SCHEMBL8395972 0.75 ALDH1A1 (0.42) DPP7DPP4MMP1MMP2MMP8

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 2 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

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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 DPP7 3990/4885DPP4 4359/4885MMP1 2712/4885

“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.