SCHEMBL16137407

SCHEMBL16137407

COc1ccc2[nH]cc(CCNC(=O)CCN)c2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.81
MTNR1B P49286 8/20 0.81
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
ALDH1A1 P00352 2/20 0.73
CYP1A2 P05177 2/20 0.73
HTR1A P08908 2/20 0.73
KDM4E B2RXH2 1/20 0.73
CYP1A1 P04798 1/20 0.73
MPO P05164 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
HPGD P15428 1/20 0.73
NQO2 P16083 1/20 0.73
HTR2B P41595 1/20 0.73
RAB9A P51151 1/20 0.73
BLM P54132 1/20 0.73
PMP22 Q01453 1/20 0.73
CYP1B1 Q16678 1/20 0.73
NOTUM Q6P988 1/20 0.73

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
SCHEMBL32678246 0.91 MTNR1A (0.79) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL5616635 0.91 MTNR1A (0.85) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL31036086 0.88 MTNR1A (0.87) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL5612765 0.87 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL29524586 0.87 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL19051465 0.87 MTNR1A (0.85) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL7794072 0.86 MTNR1A (0.79) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL19261961 0.86 MTNR1A (0.80) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL7794103 0.86 MTNR1A (0.79) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL7794006 0.86 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294724-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROTEINOPATHIES INTELLECT NEUROSCIENCES, INC. (US) 2014-10-02 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 (1 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-20140294724-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROTEINOPATHIES CLN6, PSMG3, PSEN1 MTNR1A 2840/4885MTNR1B 2937/4885KMT2A 3995/4885

“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.