SCHEMBL1067941

SCHEMBL1067941

COc1ccc2c(c1)c(CCNC(C)=O)cn2O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.78
MTNR1B P49286 13/20 0.78
NQO2 P16083 4/20 0.78
AKR1C3 P42330 1/20 0.65
HDAC3 O15379 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
ROCK1 Q13464 1/20 0.60
HTR2B P41595 2/20 0.59
HTR2C P28335 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A1 P04798 1/20 0.58
MPO P05164 1/20 0.58

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
SCHEMBL30852855 1.00 MTNR1A (0.78) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL5144427 0.88 MTNR1A (1.00) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL27714153 0.86 MTNR1A (0.76) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL3224617 0.86 MTNR1A (0.76) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL1309580 0.86 MTNR1A (0.76) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL8717163 0.85 MTNR1A (0.74) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL25100780 0.84 MTNR1A (0.77) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL194360 0.84 MTNR1A (0.73) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL23950140 0.83 MTNR1A (0.71) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL31543623 0.83 MTNR1A (0.56) MTNR1AMTNR1BNQO2AKR1C3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053462-B2 Indole derivative and application thereof SOMEI MASANORI 2011-11-08 US disclosed
US-8053462-B2 Indole derivative and application thereof SOMEI MASANORI 2011-11-08 US disclosed
US-8053462-B2 Indole derivative and application thereof SOMEI MASANORI 2011-11-08 US disclosed
US-7872040-B2 Receptor blocker and vasodilator comprising indole derivative as active ingredient SOMEI MASANORI 2011-01-18 US disclosed
US-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-01-01 US disclosed
US-20070197629-A1 Indole derivative and application thereof SOMEI MASANORI 2007-08-23 US disclosed
US-20070197629-A1 Indole derivative and application thereof SOMEI MASANORI 2007-08-23 US disclosed
US-20070197629-A1 Indole derivative and application thereof SOMEI MASANORI 2007-08-23 US disclosed
US-20070129312-A1 Convalent conjugates of biologically-active compounds with amino acids and amino acid derivatives for targeting to physiologically-protected sites YATVIN MILTON B 2007-06-07 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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient ADRB2, ADRB1, ADRA2B MTNR1A 261/4885MTNR1B 180/4885NQO2 1905/4885
US-20070129312-A1 Convalent conjugates of biologically-active compounds with amino acids and amino acid derivatives for targeting to physiologically-protected sites SLC7A1, SLC1A1, DNPEP MTNR1A 1204/4885MTNR1B 2214/4885NQO2 382/4885
US-20070197629-A1 Indole derivative and application thereof ARL1, IDO1, AIPL1 MTNR1A 143/4885MTNR1B 287/4885NQO2 2397/4885

“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.