SCHEMBL7859352

SCHEMBL7859352

COc1ccc2cccc(C(C)C)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.43
MTNR1B P49286 12/20 0.43
MCHR1 Q99705 2/20 0.39
LMNA P02545 2/20 0.38
BCL2L11 O43521 2/20 0.38
BCL2L1 Q07817 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL22559305 0.86 MTNR1A (0.44) MTNR1AMTNR1BMCHR1CYP1A2CYP3A4
SCHEMBL30867647 0.86 MTNR1A (0.44) MTNR1AMTNR1BMCHR1CYP1A2CYP3A4
SCHEMBL1712390 0.80 MTNR1A (0.46) MTNR1AMTNR1BHTR2C
SCHEMBL1723516 0.79 MTNR1A (0.45) MTNR1AMTNR1BMCHR1HTR2C
SCHEMBL1711985 0.78 MTNR1A (0.50) MTNR1AMTNR1BHTR2CALDH1A1
SCHEMBL4489968 0.78 MTNR1A (0.44) MTNR1AMTNR1BMCHR1HTR2C
SCHEMBL1712155 0.78 MTNR1A (0.46) MTNR1AMTNR1BMCHR1HTR2C
SCHEMBL6208088 0.78 MTNR1A (0.41) MTNR1AMTNR1BMCHR1HPGDHTR2C
SCHEMBL16511925 0.76 MTNR1A (0.44) MTNR1AMTNR1BCYP1A2HTR2C
SCHEMBL30492604 0.76 MTNR1A (0.44) MTNR1AMTNR1BCYP1A2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 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-20080015190-A1 Inhibitors of Histone Deacetylase HDAC5, HDAC1, HDAC4 MTNR1A 1714/4885MTNR1B 2544/4885MCHR1 3537/4885
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 MTNR1A 173/4885MTNR1B 64/4885MCHR1 354/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 MTNR1A 198/4885MTNR1B 163/4885MCHR1 1033/4885

“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.