SCHEMBL1176599

SCHEMBL1176599

NC(CC1CCc2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
MTNR1B P49286 3/20 0.47
MTNR1A P48039 2/20 0.47
IDO1 P14902 2/20 0.47
TDO2 P48775 1/20 0.47
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
FFAR1 O14842 1/20 0.41
KIF11 P52732 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
PIN1 Q13526 1/20 0.40

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
SCHEMBL9466960 0.85 MTNR1B (0.50) HTR6MTNR1BMTNR1AFFAR1PRMT5
SCHEMBL29538416 0.83 MTNR1B (0.48) HTR6MTNR1BMTNR1AFFAR1PRMT5
SCHEMBL7703389 0.80 MTNR1A (0.56) MTNR1BMTNR1AIDO1TDO2ALPI
SCHEMBL7847075 0.77 FFAR1 (0.62) HTR6MTNR1BMTNR1AFFAR1PRMT5
SCHEMBL29462285 0.77 HTR6 (0.53) HTR6MTNR1BMTNR1AIDO1
SCHEMBL21194619 0.77 HTR6 (0.53) HTR6MTNR1BMTNR1AIDO1
SCHEMBL7845908 0.77 FFAR1 (0.62) HTR6MTNR1BMTNR1AFFAR1PRMT5
SCHEMBL1470461 0.77 FFAR1 (0.62) HTR6MTNR1BMTNR1AFFAR1PRMT5
Aspartic Acid SCHEMBL17727762 0.77 FFAR1 (0.41) MTNR1BMTNR1AFFAR1TRPM8
Aspartic Acid SCHEMBL12497588 0.77 FFAR1 (0.41) MTNR1BMTNR1AFFAR1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888330-B2 Phosphoramidate derivatives of FAU WAYNE STATE UNIVERSITY (US) 2011-02-15 US disclosed
US-20080292553-A1 Phosphoramidate Derivatives of Fau NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-11-27 US disclosed
WO-2008073450-A2 BENZAMIDE COMPOUNDS GEORGETOWN UNIVERSITY (US) 2008-06-19 WO disclosed
WO-2007056596-A2 PHOSPHORAMIDATE DERIVATIVES OF FAU WAYNE STATE UNIVERSITY (US) 2007-05-18 WO disclosed
US-20060194814-A1 Benzamide compounds GEORGETOWN UNIVERSITY 2006-08-31 US disclosed
US-20060194815-A1 Methods and compositions for modulating serum cortisol levels GEORGETOWN UNIVERSITY 2006-08-31 US disclosed
WO-2005112922-A9 BENZAMIDE COMPOUNDS SAMARITAN PHARMACEUTICALS (US) 2006-03-09 WO disclosed
EP-1631289-A2 ANTI-HIV BENZAMIDE COMPOUNDS Samaritan Pharmaceuticals, Inc. (US) 2006-03-08 EP disclosed
EP-1628660-A2 METHODS AND COMPOSITIONS FOR MODULATING SERUM CORTISOL LEVELS Samaritan Pharmaceuticals, Inc. (US) 2006-03-01 EP disclosed
WO-2005112922-A2 BENZAMIDE COMPOUNDS SAMARITAN PHARMACEUTICALS (US) 2005-12-01 WO disclosed
WO-2005000205-A2 METHODS AND COMPOSITIONS FOR MODULATING SERUM CORTISOL LEVELS SAMARITAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
WO-2004108076-A2 ANTI-HIV BENZAMIDE COMPOUNDS SAMARITAN PHARMACEUTICALS, INC. (US) 2004-12-16 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 (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-20060194815-A1 Methods and compositions for modulating serum cortisol levels CRH, SERPINA6, BCHE HTR6 202/4885MTNR1B 3151/4885MTNR1A 2203/4885
US-20080292553-A1 Phosphoramidate Derivatives of Fau DUT, FAU, DPYD HTR6 2871/4885MTNR1B 3711/4885MTNR1A 3758/4885
US-20060194814-A1 Benzamide compounds PIGS, BCAT2, GBA1 HTR6 3155/4885MTNR1B 3553/4885MTNR1A 3150/4885

“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.