SCHEMBL1713813

SCHEMBL1713813

COc1cccc2[nH]cc(C(CC(=O)n3ccnc3)c3ccccc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
MGAM O43451 5/20 0.40
GAA P10253 5/20 0.40
SI P14410 5/20 0.40
MGAM2 Q2M2H8 5/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HMOX2 P30519 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2A P28223 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
KIF20A O95235 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
HAT1 O14929 1/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL1713809 1.00 CYP19A1 (0.41) CYP19A1MGAMGAASIMGAM2
SCHEMBL2072816 0.79 MTNR1A (0.43) MGAMGAASIMGAM2MTNR1A
SCHEMBL1714010 0.77 MTNR1A (0.46) MGAMGAASIMGAM2MTNR1A
SCHEMBL1714014 0.77 MTNR1A (0.46) MGAMGAASIMGAM2MTNR1A
SCHEMBL1713731 0.77 MGAM (0.45) MGAMGAASIMGAM2MTNR1A
SCHEMBL2072930 0.76 MTNR1A (0.43) MGAMGAASIMGAM2MTNR1A
SCHEMBL3151911 0.72 SLC6A2 (0.44) MGAMGAASIMGAM2MTNR1A
SCHEMBL1714319 0.71 MTNR1A (0.44) MGAMGAASIMGAM2MTNR1A
SCHEMBL1714318 0.71 MTNR1A (0.44) MGAMGAASIMGAM2MTNR1A
SCHEMBL13451628 0.71 MTNR1A (0.42) MGAMGAASIMGAM2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957454-B1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-7598399-B2 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC (US) 2009-10-06 US disclosed
EP-1957454-A1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
US-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC 2007-06-14 US disclosed
WO-2007062994-A1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 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 (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-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles TPH1, TPH2, HTR1A CYP19A1 108/4885MGAM 3927/4885GAA 4667/4885

“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.