SCHEMBL5306302

SCHEMBL5306302

COc1ccccc1OC(CCN)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.68
SLC6A4 P31645 8/20 0.68
CYP2D6 P10635 7/20 0.68
SLC6A3 Q01959 5/20 0.68
CYP1A2 P05177 4/20 0.68
CYP3A4 P08684 4/20 0.68
TSHR P16473 3/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
CYP2C19 P33261 1/20 0.68
PMP22 Q01453 2/20 0.66
SLC6A9 P48067 1/20 0.53
NOS2 P35228 4/20 0.50
KCNH2 Q12809 3/20 0.50
KCNK2 O95069 1/20 0.50
CACNA1C Q13936 1/20 0.50
HRH1 P35367 3/20 0.48
CHRM1 P11229 2/20 0.48
ADRA2B P18089 2/20 0.48
HTR2A P28223 2/20 0.48

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 SCHEMBL7306045 0.98 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
Oxalic Acid SCHEMBL7311161 0.93 SLC6A2 (0.59) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
SCHEMBL5397302 0.87 SLC6A2 (0.58) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
SCHEMBL19668660 0.86 SLC6A2 (0.62) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
SCHEMBL14415625 0.84 SLC6A2 (0.50) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
SCHEMBL4624371 0.83 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
SCHEMBL2212613 0.83 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
SCHEMBL9772801 0.83 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
SCHEMBL6725319 0.83 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2
SCHEMBL2633864 0.83 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6SLC6A3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831799-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMA INC (US) 2003-05-02 EP claimed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US claimed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
EP-1790337-A2 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. (US) 2007-05-30 EP disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
EP-1096926-B1 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMA INC (US) 2007-02-28 EP disclosed
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
EP-0831799-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMA INC (US) 2003-05-02 EP 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
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 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 SLC6A2 374/4885SLC6A4 340/4885CYP2D6 162/4885
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer PNMT, ABCC1, HNMT SLC6A2 550/4885SLC6A4 596/4885CYP2D6 254/4885
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer ABCC1, PNMT, ABCB1 SLC6A2 290/4885SLC6A4 280/4885CYP2D6 108/4885

“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.