SCHEMBL5294654

SCHEMBL5294654

COc1ccc(CC(C)N(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.60
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
LDHA P00338 1/20 0.52
AOC3 Q16853 2/20 0.47
IDO1 P14902 2/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AGXT P21549 1/20 0.44

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 SCHEMBL10527465 0.98 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL25520034 0.82 SLC6A4 (0.50) SLC6A4
SCHEMBL5304180 0.80 HTR2A (0.45) SLC6A4
Hydrochloric Acid SCHEMBL9734986 0.79 HTT (0.54) SLC6A4AOC3L3MBTL1
SCHEMBL104850 0.79 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL28296170 0.79 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL16383175 0.79 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL10076405 0.78 MAOB (0.68) SLC6A4CYP1A2CYP2D6
SCHEMBL11439731 0.77 SLC6A4 (0.56) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL21203235 0.77 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A4 178/4885CYP1A2 786/4885CYP2D6 547/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT SLC6A4 178/4885CYP1A2 786/4885CYP2D6 547/4885

“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.