SCHEMBL559693

SCHEMBL559693

O=C1C[C@H](c2ccc(Cl)cc2-c2ccccc2)CN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
PDE4D Q08499 3/20 0.41
CNR1 P21554 1/20 0.41
NTSR1 P30989 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SLC5A1 P13866 2/20 0.39
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 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
SCHEMBL560228 0.79 MTNR1A (0.46) MTNR1AALDH1A1HTTKMT2AMEN1
SCHEMBL559949 0.77 MTNR1A (0.47) MTNR1AALDH1A1PDE4DSLC6A3PDE4A
SCHEMBL560175 0.77 MTNR1A (0.48) MTNR1AALDH1A1HTTPDE4DSLC6A3
SCHEMBL20177704 0.77 MTNR1A (0.48) MTNR1AALDH1A1PDE4DPDE4APDE4B
SCHEMBL559629 0.77 MTNR1A (0.48) MTNR1AALDH1A1PDE4DSLC6A3PDE4A
SCHEMBL559712 0.77 MTNR1A (0.48) MTNR1AALDH1A1PDE4DKMT2APDE4A
SCHEMBL559928 0.76 MTNR1A (0.46) MTNR1AALDH1A1HTTPDE4DCNR1
SCHEMBL559927 0.76 MTNR1A (0.46) MTNR1AALDH1A1HTTPDE4DCNR1
Hydrochloric Acid SCHEMBL560453 0.75 MTNR1A (0.47) MTNR1AALDH1A1HTTPDE4DKMT2A
SCHEMBL560148 0.74 MTNR1A (0.46) MTNR1AALDH1A1PDE4DSLC6A3PDE4A

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
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 US disclosed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP disclosed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US disclosed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US disclosed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 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 (2 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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 MTNR1A 394/4885ALDH1A1 1314/4885HTT 2814/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 MTNR1A 394/4885ALDH1A1 1314/4885HTT 2814/4885

“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.