SCHEMBL4121680

SCHEMBL4121680

CC(C)(C)C([NH])C(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.42
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 2/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4121713 0.82 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1RAB9AKMT2AMEN1
SCHEMBL4125720 0.82 DPP7 (0.41) SMN1; SMN2ALDH1A1CYP3A4CYP2C19RAB9A
SCHEMBL4128646 0.80 DPP7 (0.43) SMN1; SMN2ALDH1A1CYP3A4CYP2C19RAB9A
SCHEMBL16358958 0.78 SMN1; SMN2 (0.47) SMN1; SMN2USP2ALDH1A1PKMCYP3A4
SCHEMBL4108525 0.78 CYP1A2 (0.45) TP53
SCHEMBL8395805 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1PKMCYP3A4CYP2C19
SCHEMBL4121638 0.77 SMN1; SMN2 (0.46) SMN1; SMN2USP2ALDH1A1PKMCYP3A4
SCHEMBL4121643 0.77 SMN1; SMN2 (0.46) SMN1; SMN2USP2ALDH1A1PKMCYP3A4
SCHEMBL824919 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1PKMCYP3A4CYP2C19
SCHEMBL5486914 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1PKMCYP3A4CYP2C19

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 SMN1; SMN2 3382/4885USP2 3764/4885ALDH1A1 1759/4885

“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.