SCHEMBL5288288

SCHEMBL5288288

COc1ccc(NC(C)C)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CYP19A1 P11511 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AOC3 Q16853 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ADRA2B P18089 1/20 0.36
MEN1 O00255 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
SCHEMBL8551899 0.82 NPC1 (0.47) LMNASMN1; SMN2CYP1A1CYP1B1CYP19A1
SCHEMBL5292142 0.80 SMN1; SMN2 (0.42) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL2674168 0.79 KDM4E (0.43) LMNAABCG2ALDH1A1MAPTNPC1
SCHEMBL5299244 0.78 SMN1; SMN2 (0.40) LMNASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL2093095 0.77 APP (0.42) LMNASMN1; SMN2CYP1A1CYP1B1CYP19A1
SCHEMBL16874200 0.75 AOC3 (0.41) LMNASMN1; SMN2CYP1A1CYP1B1CYP19A1
SCHEMBL2093093 0.75 ADRA2A (0.39) LMNASMN1; SMN2CYP1A1CYP1B1CYP19A1
SCHEMBL30701949 0.75 CA9 (0.50) SMN1; SMN2CYP1A1CYP1B1CYP19A1ABCG2
SCHEMBL3674074 0.75 CA9 (0.50) SMN1; SMN2CYP1A1CYP1B1CYP19A1ABCG2
SCHEMBL17048152 0.74 LMNA (0.45) LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO claimed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US claimed
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines UNIV DUKE (US) 2015-01-22 US disclosed
US-8877802-B2 Antiparkinsonian action of phenylisopropylamines Duke Univerity (US) 2014-11-04 US disclosed
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO disclosed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 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-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT LMNA 2266/4885SMN1; SMN2 24/4885CYP1A1 1065/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT LMNA 2266/4885SMN1; SMN2 24/4885CYP1A1 1065/4885

“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.