SCHEMBL931472

SCHEMBL931472

O=C(CCN1CNc2c1nc[nH]c2=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.52
SPR P35270 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
IDO1 P14902 1/20 0.48
HPGD P15428 1/20 0.48
BLM P54132 1/20 0.48
NOTUM Q6P988 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGS2 P35354 2/20 0.47
FAAH O00519 1/20 0.47
PTGS1 P23219 1/20 0.44

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
SCHEMBL931453 0.89 MEN1 (0.53) ALDH1A1CYP1A2MAPTBLM
SCHEMBL5332984 0.86 TRPV1 (0.49) TRPV1SPRKDM4EALDH1A1CYP1A2
SCHEMBL931907 0.79 MAPT (0.43) TRPV1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL25137286 0.75 TRPV1 (0.76) TRPV1SPRKDM4EALDH1A1CYP1A2
SCHEMBL5528244 0.75 TRPV1 (0.64) TRPV1SPRKDM4EALDH1A1CYP1A2
SCHEMBL7570987 0.75 MEN1 (0.51) ALDH1A1CYP1A2MAPTBLM
SCHEMBL4686124 0.73 TRPV1 (0.84) TRPV1SPRKDM4EALDH1A1CYP1A2
Bufobutanoic Acid SCHEMBL22804772 0.72 TRPV1 (0.71) TRPV1SPRKDM4EALDH1A1CYP1A2
Bufobutanoic Acid SCHEMBL29679385 0.72 TRPV1 (0.71) TRPV1SPRKDM4EALDH1A1CYP1A2
SCHEMBL5520092 0.71 TRPV1 (0.67) TRPV1SPRKDM4EALDH1A1CYP1A2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303617-B1 FOR THERAPY OF OBESITY, LOWERING SERUM CHOLESTEROL AND HIGH DENSITY LIPOPROTEIN IN MAMMALS, INHIBITOR OF MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-16 US claimed
WO-1999057120-A9 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS INC (US) 2000-02-03 WO claimed
WO-1999057120-A1 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS, INC. (US) 1999-11-11 WO claimed
EP-1334103-B1 METHODS FOR TREATMENT OF DISEASE-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS SPECTRUM PHARMACEUTICALS INC (US) 2011-01-12 EP disclosed
EP-1790344-A2 Methods for treatment of disease-induced peripheral neuropathy and related conditions Spectrum Pharmaceuticals, Inc. (US) 2007-05-30 EP disclosed
US-6630490-B2 Purine derivative or analogue NEOTHERAPEUTICS, INC. 2003-10-07 US disclosed
US-6630478-B2 Administering to patient with drug-induced peripheral neuropathy an effective quantity of a purine derivative or analogue, a tetrahydroindolone derivative or analogue, or a pyrimidine derivative or analogue NEOTHERAPEUTICS, INC. 2003-10-07 US disclosed
EP-1334103-A2 METHODS FOR TREATMENT OF DISEASE-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS Neotherapeutics, Inc. (US) 2003-08-13 EP disclosed
US-20020128264-A1 Methods for treatment of conditions affected by activity of multidrug transporters NEOTHERAPEUTICS, INC. 2002-09-12 US disclosed
WO-2002058736-A2 USE OF 9-SUBSTITUTED PURINE ANALOGUES AND OTHER MOLECULES TO STIMULATE NEUROGENESIS NEOTHERAPETICS, INC. (US) 2002-08-01 WO disclosed
US-20020091133-A1 Use of 9-substituted purine analogues and other molecules to stimulate neurogenesis EVE M. TAYLOR 2002-07-11 US disclosed
WO-2002004450-A2 METHODS FOR PREVENTION OF ACCUMULATION OF AMYLOID BETA PEPTIDE IN THE CENTRAL NERVOUS SYSTEM NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2002004449-A2 METHODS FOR TREATMENT OF CONDITIONS AFFECTED BY ACTIVITY OF MULTIDRUG TRANSPORTERS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2002004451-A2 METHODS FOR STIMULATION OF SYNTHESIS OF SYNAPTOPHYSIN IN THE CENTRAL NERVOUS SYSTEM NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
US-6303617-B1 FOR THERAPY OF OBESITY, LOWERING SERUM CHOLESTEROL AND HIGH DENSITY LIPOPROTEIN IN MAMMALS, INHIBITOR OF MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-16 US disclosed
WO-1999057120-A9 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS INC (US) 2000-02-03 WO disclosed
WO-1999057120-A9 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS INC (US) 2000-02-03 WO disclosed
WO-1999057119-A1 NOVEL DOPAMINE-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS, INC. (US) 1999-11-11 WO disclosed
WO-1999057120-A1 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS, INC. (US) 1999-11-11 WO disclosed
WO-1999057120-A1 NOVEL SEROTONIN-LIKE 9-SUBSTITUTED HYPOXANTHINE AND METHODS OF USE NEOTHERAPEUTICS, INC. (US) 1999-11-11 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 (2 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-20020128264-A1 Methods for treatment of conditions affected by activity of multidrug transporters SLC29A1, ABCB1, NUDT1 TRPV1 767/4885SPR 258/4885KDM4E 3123/4885
US-20020091133-A1 Use of 9-substituted purine analogues and other molecules to stimulate neurogenesis DCX, MKI67, TK2 TRPV1 370/4885SPR 2835/4885KDM4E 837/4885

“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.