SCHEMBL4303544

SCHEMBL4303544

NC(CCCC(N)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.73
ANPEP P15144 1/20 0.61
SLC6A2 P23975 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
MAOA P21397 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
CYP2A6 P11509 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
CYP2D6 P10635 1/20 0.50
CSNK1E P49674 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
MMP2 P08253 1/20 0.46
SCN4A P35499 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
SCHEMBL4302698 0.95 EPHX1 (0.73) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL20466361 0.95 EPHX1 (0.73) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL9182651 0.93 EPHX1 (0.70) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL15476621 0.90 EPHX1 (0.80) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL2736189 0.90 EPHX1 (0.80) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL902607 0.90 EPHX1 (0.80) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL902633 0.90 EPHX1 (0.80) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL18034347 0.90 EPHX1 (0.80) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL3127068 0.90 EPHX1 (0.59) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL10202821 0.89 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA

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
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 US disclosed
US-7312244-B2 Polyamine analog-amino acid conjugates useful as anticancer agents CELLGATE, INC. (US) 2007-12-25 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-07-12 US disclosed
US-7186825-B2 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-03-06 US disclosed
EP-1698629-A2 Polyamines and their use in therapy Cellgate, Inc. (US) 2006-09-06 EP disclosed
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. 2005-10-20 US disclosed
EP-1337504-A4 NOVEL POLYAMINE ANALOG-AMINO ACID CONJUGATES USEFUL AS ANTICANCER AGENTS CELLGATE INC (US) 2005-10-05 EP disclosed
US-20040235962-A1 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. 2004-11-25 US disclosed
US-6794545-B1 INCREASES IN THE POLYAMINE POOL SUPPRESS POLYAMINE BIOSYNTHESIS ALSO INHIBIT CELL GROWTH; ANTIPROLIFERATIVE AGENT SLIL BIOMEDICAL CORPORATION 2004-09-21 US disclosed
US-20040133013-A1 Novel polyamine analog-amino acid conjugates useful as anticancer agents CELLGATE, INC. 2004-07-08 US disclosed
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases SLIL BIOMEDICAL CORPORATION (US) 2004-01-08 US disclosed
US-6649587-B1 Cytostatic or cytocidal componenet conjugated to a polypeptide recognized and cleaved by enzymes such as prostate specific antigen (PSA) and cathepsin B SLIL BIOMEDICAL CORPORATION 2003-11-18 US disclosed
EP-1337504-A2 NOVEL POLYAMINE ANALOG-AMINO ACID CONJUGATES USEFUL AS ANTICANCER AGENTS Slil Biomedical Corporation (US) 2003-08-27 EP disclosed
WO-2002091989-A2 ANTIVIRAL THERAPIES USING POLYAMINE OR POLYAMINE ANALOG-AMINO ACID CONJUGATES SLIL BIOMEDICAL CORPORATION (US) 2002-11-21 WO disclosed
WO-2002038105-A2 NOVEL POLYAMINE ANALOG-AMINO ACID CONJUGATES USEFUL AS ANTICANCER AGENTS SLIL BIOMEDICAL CORPORATION (US) 2002-05-16 WO disclosed
EP-1173223-A2 CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES Slil Biomedical Corporation (US) 2002-01-23 EP disclosed
WO-2000066175-A2 CONJUGATES AS THERAPIES FOR CANCER AND PROSTATE DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 WO 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 (7 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-20040235962-A1 Conformationally restricted polyamine analogs as disease therapies SRM, PYCR1, PAICS EPHX1 2426/4885ANPEP 716/4885SLC6A2 1532/4885
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies SRM, PYCR1, PAICS EPHX1 2426/4885ANPEP 716/4885SLC6A2 1532/4885
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV EPHX1 1504/4885ANPEP 69/4885SLC6A2 2035/4885
US-20040133013-A1 Novel polyamine analog-amino acid conjugates useful as anticancer agents SLC7A1, SRM, PAICS EPHX1 3270/4885ANPEP 154/4885SLC6A2 1194/4885
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 EPHX1 1945/4885ANPEP 60/4885SLC6A2 1848/4885
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV EPHX1 1504/4885ANPEP 69/4885SLC6A2 2035/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV EPHX1 1504/4885ANPEP 69/4885SLC6A2 2035/4885

“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.