SCHEMBL10046704

SCHEMBL10046704

CCN(CC#N)CC[C@H](C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
GABRR1 P24046 2/20 0.38
MAPK1 P28482 1/20 0.38
ACE2 Q9BYF1 1/20 0.36
DPP4 P27487 4/20 0.36
BLM P54132 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ZDHHC20 Q5W0Z9 2/20 0.32
LTA4H P09960 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL7141661 0.83 GABRR1 (0.48) CYP1A2GABRR1ACE2BLMCHRM1
SCHEMBL18072159 0.76 CYP1A2 (0.50) CYP1A2GABRR1MAPK1DPP4BLM
SCHEMBL8588431 0.72 BLM (0.48) CYP1A2GABRR1ACE2BLMCHRM2
SCHEMBL15865784 0.70
SCHEMBL29954280 0.70 CYP1A2 (0.45) CYP1A2MAPK1DPP4BLMCHRM2
SCHEMBL28440260 0.70 ACE2 (0.57) CYP1A2GABRR1ACE2BLMZDHHC20
SCHEMBL5400126 0.69
SCHEMBL3383959 0.67 BLM (0.52) CYP1A2GABRR1ACE2BLMLTA4H
SCHEMBL65244 0.67
SCHEMBL9194314 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022371-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD (US) 2012-01-26 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-20120022371-A1 Compositions and methods for detecting and treating tumors containing acidic areas CA1, CA14, CA12 CYP1A2 4534/4885GABRR1 1494/4885MAPK1 4769/4885

“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.