SCHEMBL4121643

SCHEMBL4121643

CC(C)(C)C(N)C(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
USP2 O75604 1/20 0.46
DPP4 P27487 4/20 0.44
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP9 Q86TI2 3/20 0.42
DPP7 Q9UHL4 2/20 0.42
PKM P14618 1/20 0.42
FAP Q12884 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL4121638 1.00 SMN1; SMN2 (0.46) SMN1; SMN2USP2DPP4MMP1MMP3
SCHEMBL8351360 0.82 DPP4 (0.49) DPP4ALDH1A1DPP8DPP9DPP7
SCHEMBL342909 0.82 DPP4 (0.49) SMN1; SMN2DPP4ALDH1A1DPP8DPP9
SCHEMBL14655433 0.82 DPP4 (0.49) DPP4ALDH1A1DPP8DPP9DPP7
SCHEMBL4125726 0.82 DPP4 (0.49) DPP4ALDH1A1DPP8DPP9DPP7
SCHEMBL342908 0.82 DPP4 (0.49) SMN1; SMN2DPP4ALDH1A1DPP8DPP9
Hydrochloric Acid SCHEMBL2377064 0.80 DPP4 (0.47) DPP4ALDH1A1DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL2377058 0.80 DPP4 (0.47) DPP4ALDH1A1DPP8DPP9DPP7
SCHEMBL6316252 0.80 DPP4 (0.47) DPP4MMP1MMP3ALDH1A1DPP8
SCHEMBL14655634 0.80 DPP4 (0.47) DPP4MMP1MMP3ALDH1A1DPP8

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 5 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
EP-3778249-A1 PRETREATMENT LIQUID, INK SET, IMAGE RECORDED MATERIAL, SUBSTRATE FOR IMAGE RECORDING, MANUFACTURING METHOD OF SUBSTRATE FOR IMAGE RECORDING, AND IMAGE RECORDING METHOD Fujifilm Corporation (JP) 2021-02-17 EP disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 SMN1; SMN2 3382/4885USP2 3764/4885DPP4 4359/4885

“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.