SCHEMBL8073196

SCHEMBL8073196

CC(C)(C)CNCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.41
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
PAOX Q6QHF9 1/20 0.41
CYP2D6 P10635 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
KEAP1 Q14145 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
SCHEMBL2994842 0.83 SMN1; SMN2 (0.44) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL15025076 0.82 SMN1; SMN2 (0.41) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL21667945 0.82 CARM1 (0.46) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL9285600 0.82 CARM1 (0.52) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL14805807 0.81 PAOX (0.49) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL4401738 0.81 CA12 (0.53) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL15025337 0.81 CA12 (0.43) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL21594700 0.80 CARM1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL15025233 0.78 CA12 (0.41) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL39800 0.78 CA12 (0.47) SMN1; SMN2CA12CA1CA2CA9

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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 US disclosed
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 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 (2 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 SMN1; SMN2 3208/4885CA12 4315/4885CA1 4205/4885
US-20080132500-A1 Antibiotic compounds NRDC, MRPL21, PEPD SMN1; SMN2 3936/4885CA12 4680/4885CA1 4788/4885

“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.