SCHEMBL6729778

SCHEMBL6729778

COc1ccccc1OC(CCN(C)C)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.64
SLC6A2 P23975 3/20 0.64
SLC6A4 P31645 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
MEN1 O00255 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
SLC6A3 Q01959 1/20 0.64
PMP22 Q01453 1/20 0.62
HRH3 Q9Y5N1 1/20 0.55
HTR2A P28223 1/20 0.51
HRH1 P35367 1/20 0.51
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
THPO P40225 1/20 0.46

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
Maleic Acid SCHEMBL7315527 0.89 SLC6A9 (0.64) SLC6A9SLC6A2SLC6A4CYP1A2CYP3A4
Fumaric Acid SCHEMBL7315531 0.89 SLC6A9 (0.64) SLC6A9SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL8197707 0.84 CYP2D6 (0.64) SLC6A9SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL3894545 0.84 CYP2D6 (0.64) SLC6A9SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL5078074 0.84 SLC6A4 (0.59) SLC6A9SLC6A4HRH3
SCHEMBL9398414 0.83 SLC6A9 (0.63) SLC6A9SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL8024681 0.83 SLC6A4 (0.53) SLC6A9SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL7169436 0.82 SLC6A4 (0.52) SLC6A9SLC6A2SLC6A4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7320057 0.82 SLC6A4 (0.56) SLC6A9SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL17835592 0.82 SLC6A9 (0.56) SLC6A9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2004-12-30 US disclosed
EP-1425002-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENTS IN THE TREATMENT OF CANCER Ramot at Tel Aviv University Ltd. (IL) 2004-06-09 EP disclosed
US-20040054014-A1 Method and pharmaceutical compositions forthe treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. 2004-03-18 US disclosed
US-6630454-B2 Method and pharmaceutical composition for the treatment of cancer RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2003-10-07 US disclosed
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. 2003-05-08 US disclosed
WO-2003022258-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENT IN THE TREATMENT OF CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-03-20 WO disclosed
EP-0318727-B1 Aryloxphenylpropylamines and their preparation and use NOVO NORDISK AS (DK) 1994-03-09 EP disclosed
US-4970232-A CALCIUM CHANNEL BLOCKERS; ANOXIA, ANTIEPILEPTIC AND ANTIISCHEMIC AGENTS; HEADACHES A/S FERROSAN (DK) 1990-11-13 US disclosed
US-4962122-A TREATMENT OF ANOXIA, MIGRAINE, ISCHEMIA AND EPILIEPSY A/S FERROSAN (DK) 1990-10-09 US disclosed
EP-0318727-A2 Aryloxphenylpropylamines and their preparation and use NOVO NORDISK A/S (DK) 1989-06-07 EP disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 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-20040054014-A1 Method and pharmaceutical compositions forthe treatment of cancer ABCC1, ABCB1, SLC11A2 SLC6A9 1153/4885SLC6A2 374/4885SLC6A4 340/4885
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer PNMT, ABCC1, HNMT SLC6A9 2429/4885SLC6A2 550/4885SLC6A4 596/4885
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer ABCC1, PNMT, ABCB1 SLC6A9 2252/4885SLC6A2 290/4885SLC6A4 280/4885

“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.