SCHEMBL20997441

SCHEMBL20997441

CC(=N)NN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
EPHX2 P34913 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11763036 0.77 CA12 (0.47) CA12CA1CA2CA9CYP2D6
SCHEMBL14345149 0.77
SCHEMBL4981455 0.76 CA12 (0.56) CA12CA1CA2CA9CYP2D6
SCHEMBL10742927 0.76 CA12 (0.61) CA12CA1CA2CA9CYP2D6
SCHEMBL3422335 0.76 CA12 (0.50) CA12CA1CA2CA9CYP2D6
Hydrochloric Acid SCHEMBL28618348 0.76 CA12 (0.45) CA12CA1CA2CA9CYP2D6
SCHEMBL14344938 0.75 HTT (0.36) ALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL28247897 0.74 CYP2D6 (0.49) CA12CA1CA2CA9CYP2D6
Iodide SCHEMBL28247499 0.74 CYP2D6 (0.49) CA12CA1CA2CA9CYP2D6
SCHEMBL28247895 0.74 CYP2D6 (0.49) CA12CA1CA2CA9CYP2D6

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-20190145981-A1 METHODS FOR DETERMINING DPP3 AND THERAPEUTIC METHODS SPHINGOTEC THERAPEUTICS GMBH (DE) 2019-05-16 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-20190145981-A1 METHODS FOR DETERMINING DPP3 AND THERAPEUTIC METHODS DPP3, DPP4, DPP7 CA12 258/4885CA1 450/4885CA2 631/4885

“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.