SCHEMBL142836

SCHEMBL142836

CCc1ccccc1OC(CC(N)OP(=O)(O)O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SLC6A2 P23975 8/20 0.34
ANPEP P15144 2/20 0.34
POLB P06746 1/20 0.34
LAP3 P28838 1/20 0.34
SLC6A4 P31645 6/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 4/20 0.33
TSHR P16473 3/20 0.33
ADRA2B P18089 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KMT2A Q03164 2/20 0.33
CHRM1 P11229 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HRH1 P35367 2/20 0.33
OPRM1 P35372 2/20 0.33

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
Phosphoric Acid SCHEMBL142835 0.78 SLC6A2 (0.53) ADRB2ADRB1ADRB3SLC6A2SLC6A4
SCHEMBL18141270 0.74 ADRA2A (0.43) ADRB2ADRB1ADRB3SLC6A2SLC6A4
SCHEMBL5397001 0.73 SLC6A2 (0.59) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL759322 0.70 POLB (0.46) POLBTSHRALOX15LMNA
Hydrochloric Acid SCHEMBL5508930 0.70 L3MBTL1 (0.44) SLC6A2POLBSLC6A4ADRA2BKMT2A
SCHEMBL28980053 0.70 POLB (0.46) POLBTSHRALOX15LMNA
Hydrochloric Acid SCHEMBL8027384 0.69 SLC6A2 (0.40) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL9411503 0.69 SLC6A2 (0.33) SLC6A2ANPEPPOLBSLC6A4CYP1A2
SCHEMBL7310734 0.68 KDM4E (0.39) ADRB2ADRB1ADRB3SLC6A2SLC6A4
SCHEMBL7169436 0.68 SLC6A4 (0.52) 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 61 patents — showing the first 20. 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 claimed
EP-1425002-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENTS IN THE TREATMENT OF CANCER Ramot at Tel Aviv University Ltd. (IL) 2004-06-09 EP claimed
US-20040054014-A1 Method and pharmaceutical compositions forthe treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. 2004-03-18 US claimed
US-6630454-B2 Method and pharmaceutical composition for the treatment of cancer RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2003-10-07 US claimed
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 claimed
WO-2003022258-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENT IN THE TREATMENT OF CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-03-20 WO claimed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS CombinatoRx, (Singapore) Pte. Ltd. 2010-04-01 US disclosed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP disclosed
EP-1670427-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2009-01-07 EP 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
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 (5 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 ADRB2 1138/4885ADRB1 720/4885ADRB3 300/4885
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer PNMT, ABCC1, HNMT ADRB2 427/4885ADRB1 302/4885ADRB3 51/4885
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer ABCC1, PNMT, ABCB1 ADRB2 830/4885ADRB1 510/4885ADRB3 221/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 ADRB2 3157/4885ADRB1 2770/4885ADRB3 2175/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP ADRB2 4230/4885ADRB1 4363/4885ADRB3 3607/4885

“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.