SCHEMBL6725319

SCHEMBL6725319

COc1ccccc1OC(CCCl)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.68
SLC6A4 P31645 5/20 0.68
CYP1A2 P05177 4/20 0.68
CYP3A4 P08684 4/20 0.68
CYP2D6 P10635 4/20 0.68
KMT2A Q03164 4/20 0.68
TSHR P16473 3/20 0.68
SLC6A3 Q01959 3/20 0.68
MEN1 O00255 2/20 0.68
CYP2C19 P33261 1/20 0.68
PMP22 Q01453 2/20 0.66
SLC6A9 P48067 1/20 0.53
CHRM1 P11229 2/20 0.48
ADRA2B P18089 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HRH1 P35367 2/20 0.48
OPRM1 P35372 2/20 0.48
DRD3 P35462 2/20 0.48
OPRK1 P41145 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
SCHEMBL9772801 1.00 SLC6A2 (0.68) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL7835291 0.86 SLC6A2 (0.62) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL7996118 0.83 SLC6A2 (0.68) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL2211203 0.83 SLC6A2 (0.68) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL2208714 0.83 SLC6A2 (0.68) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL5306302 0.83 SLC6A2 (0.68) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL5659467 0.83 SLC6A4 (0.49) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL6696040 0.83 SLC6A4 (0.49) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7306045 0.82 SLC6A2 (0.68) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL9293360 0.81 SLC6A9 (0.53) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6

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 9 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
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
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 340/4885CYP1A2 309/4885
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer PNMT, ABCC1, HNMT SLC6A2 550/4885SLC6A4 596/4885CYP1A2 316/4885
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer ABCC1, PNMT, ABCB1 SLC6A2 290/4885SLC6A4 280/4885CYP1A2 226/4885

“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.