SCHEMBL3051709

SCHEMBL3051709

Cc1nccn1CCCNC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TBXAS1 P24557 2/20 0.43
ARG1 P05089 1/20 0.42
P2RX7 Q99572 1/20 0.42
TSHR P16473 1/20 0.42
FDPS P14324 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL3038961 0.90 ALDH1A1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL14031929 0.85 ALDH1A1 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL10856186 0.84 CA12 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL24107635 0.84 CA12 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL29458127 0.84 CA12 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL18991291 0.83 ARG1 (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL27220883 0.81 ALDH1A1 (0.67) CA12CA1CA2CA9ALDH1A1
Bicarbonate SCHEMBL22832269 0.80 ALDH1A1 (0.83) CA12CA1CA2CA9ALDH1A1
Bicarbonate SCHEMBL22832272 0.80 ALDH1A1 (0.83) CA12CA1CA2CA9ALDH1A1
SCHEMBL812138 0.80 ALDH1A1 (0.51) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 EP disclosed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CA12 4051/4885CA1 4072/4885CA2 2164/4885

“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.