SCHEMBL5293402

SCHEMBL5293402

CCNC(C)(C)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
CYP2D6 P10635 2/20 0.40

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
SCHEMBL11670010 0.83 ALDH1A1 (0.52) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL546071 0.81 SLC6A2 (0.42) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL8738575 0.77 MAPT (0.42) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL12467359 0.77 MAPT (0.42) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL30567467 0.76 ALDH1A1 (0.52) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL85405 0.76 ALDH1A1 (0.52) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL9150315 0.75 CYP3A4 (0.44) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL18649452 0.75 DRD3 (0.42) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL933157 0.73 CYP3A4 (0.50) MAPTALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL14349288 0.73 CYP3A4 (0.45) ALDH1A1MAPK1HTTRAB9AGAA

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 7 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
US-5411965-A Use of delta opioid receptor antagonists to treat cocaine abuse ARIZONA BOARD OF REGENTS (US) 1995-05-02 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 MAPT 393/4885ALDH1A1 926/4885LMNA 2266/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT MAPT 393/4885ALDH1A1 926/4885LMNA 2266/4885

“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.