SCHEMBL5308504

SCHEMBL5308504

COc1cc(C[C@@H](C)N)cc(OC)c1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.51
▸ SLC6A2 P23975 2/20 0.51
▸ MAOA P21397 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ CYP2A6 P11509 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL5308499 1.00 TAAR1 (0.51) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL19738039 0.85 KMT2A (0.50) MEN1KMT2ATDP1
SCHEMBL6795931 0.84 MEN1 (0.55) TAAR1MEN1KMT2A
SCHEMBL3058722 0.84 SIGMAR1 (0.57) SIGMAR1KMT2A
SCHEMBL19738025 0.80 GAA (0.47) MEN1KMT2ATDP1
SCHEMBL5234365 0.80 HTR1A (0.49) MAOAMEN1KMT2ATDP1
SCHEMBL5308249 0.80 HTR2A (0.60) TAAR1
SCHEMBL5308245 0.80 HTR2A (0.60) TAAR1
SCHEMBL21300617 0.79 BCHE (0.67) TDP1
SCHEMBL20553334 0.79 PTGS2 (0.55) TAAR1SLC6A4

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 TAAR1 1075/4885SLC6A2 97/4885MAOA 21/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT TAAR1 1075/4885SLC6A2 97/4885MAOA 21/4885

“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.

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