SCHEMBL1714014

SCHEMBL1714014

CNC(=O)CC(c1ccccc1)c1c[nH]c2cccc(OC)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MGAM O43451 5/20 0.45
GAA P10253 5/20 0.45
SI P14410 5/20 0.45
MGAM2 Q2M2H8 5/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
HAT1 O14929 1/20 0.41
EP300 Q09472 1/20 0.41
HTR2A P28223 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL1714010 1.00 MTNR1A (0.46) MTNR1AMTNR1BMGAMGAASI
SCHEMBL2072930 0.91 MTNR1A (0.43) MTNR1AMTNR1BMGAMGAASI
SCHEMBL3151911 0.86 SLC6A2 (0.44) MTNR1AMTNR1BMGAMGAASI
SCHEMBL3224972 0.82 HPGD (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1714532 0.81 SLC6A4 (0.64) MTNR1AMTNR1BLMNACYP2D6SLC6A2
SCHEMBL2073643 0.81 SLC6A4 (0.64) MTNR1AMTNR1BLMNACYP2D6SLC6A2
SCHEMBL1714535 0.81 SLC6A4 (0.64) MTNR1AMTNR1BLMNACYP2D6SLC6A2
Hydrochloric Acid SCHEMBL2071436 0.80 SLC6A2 (0.63) MTNR1AMTNR1BCYP2D6SLC6A2SLC6A4
Iodide SCHEMBL2071562 0.80 SLC6A2 (0.63) MTNR1AMTNR1BLMNACYP2D6SLC6A2
Hydrochloric Acid SCHEMBL2071435 0.80 SLC6A2 (0.63) MTNR1AMTNR1BCYP2D6SLC6A2SLC6A4

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 3 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
US-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC 2007-06-14 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-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles TPH1, TPH2, HTR1A MTNR1A 25/4885MTNR1B 38/4885MGAM 3927/4885

“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.