SCHEMBL3973653

SCHEMBL3973653

CCCCN(CCCN)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
DNM1 Q05193 8/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL12928999 0.93 DNM1 (0.46) CA12CA1CA9DNM1MEN1
SCHEMBL28825418 0.92 CA12 (0.44) CA12CA1CA9MMP1MMP2
SCHEMBL304950 0.90 CA1 (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL7956550 0.84 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL25227059 0.82 CA12 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL25224503 0.82 CA12 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL7954410 0.82 CA12 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL25227711 0.82 CA12 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL25227867 0.82 CA12 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL25278347 0.82 CA12 (0.47) CA12CA1CA9MMP1MMP2

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-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 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-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE CA12 2360/4885CA1 1188/4885CA9 2808/4885

“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.