SCHEMBL5288474

SCHEMBL5288474

CC(C)(N)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
TAAR1 Q96RJ0 3/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ATM Q13315 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
GABRA1 P14867 1/20 0.41
MAOA P21397 1/20 0.41
PDE4A P27815 1/20 0.41
KDR P35968 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.41

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
Hydrochloric Acid SCHEMBL12614854 0.98 CYP3A4 (0.44) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL29337534 0.88 MAPT (0.44) ATMMAPTMAPK1
SCHEMBL30567467 0.83 ALDH1A1 (0.52) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL85405 0.83 ALDH1A1 (0.52) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL8284590 0.80 CYP3A4 (0.45) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL14349288 0.80 CYP3A4 (0.45) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL8181737 0.80 CYP3A4 (0.45) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL20222611 0.80 CYP3A4 (0.45) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL22338921 0.80 CYP3A4 (0.45) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL933157 0.80 CYP3A4 (0.50) CYP3A4SLC6A2SLC6A3ATMHTR3E

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 15 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-6916809-B2 Heterocyclic acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 US disclosed
EP-1456207-A4 HETEROCYCLIC ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-01 EP disclosed
EP-1456207-A2 HETEROCYCLIC ACRIDONE INHIBITORS OF IMPDH ENZYME Bristol-Myers Squibb Company (US) 2004-09-15 EP disclosed
US-20030181497-A1 Heterocyclic acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2003-09-25 US disclosed
WO-2003055447-A2 HETEROCYCLIC ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-10 WO disclosed
US-5411965-A Use of delta opioid receptor antagonists to treat cocaine abuse ARIZONA BOARD OF REGENTS (US) 1995-05-02 US disclosed
US-4004028-A BRONCHODILATION SMITHKLINE CORPORATION (US) 1977-01-18 US disclosed
US-3966770-A 4-Hydroxy-α-[(3,4-methylenedioxyphenyl)isopropylaminoethyl]-3-(methylsulfonylmethyl)benzyl alcohol SMITHKLINE CORPORATION (US) 1976-06-29 US disclosed
US-3966770-A 4-Hydroxy-α-[(3,4-methylenedioxyphenyl)isopropylaminoethyl]-3-(methylsulfonylmethyl)benzyl alcohol SMITHKLINE CORPORATION (US) 1976-06-29 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 (3 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 CYP3A4 1488/4885TAAR1 1075/4885SLC6A4 178/4885
US-20030181497-A1 Heterocyclic acridone inhibitors of IMPDH enzyme IMPDH1, IMPDH2, XDH CYP3A4 288/4885TAAR1 1929/4885SLC6A4 534/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT CYP3A4 1488/4885TAAR1 1075/4885SLC6A4 178/4885

“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.