SCHEMBL559927

SCHEMBL559927

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41
TUBA1C Q9BQE3 3/20 0.41
TUBB6 Q9BUF5 3/20 0.41
TUBB2B Q9BVA1 3/20 0.41
TUBB1 Q9H4B7 3/20 0.41
BRD4 O60885 3/20 0.39
CREBBP Q92793 3/20 0.39
MAOB P27338 2/20 0.38
PIM1 P11309 1/20 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
SCHEMBL559928 1.00 MTNR1A (0.46) MTNR1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL560148 0.81 MTNR1A (0.46) MTNR1ASLC6A3ALDH1A1PDE4APDE4B
SCHEMBL560158 0.80 MTNR1A (0.44) MTNR1ACREBBPSLC6A3MAPTALDH1A1
SCHEMBL559693 0.76 MTNR1A (0.50) MTNR1ABRD4PIM1PIM2SLC6A3
SCHEMBL559949 0.73 MTNR1A (0.47) MTNR1ASLC6A3ALDH1A1PDE4APDE4B
SCHEMBL20177704 0.73 MTNR1A (0.48) MTNR1AALDH1A1PDE4APDE4BPDE4C
SCHEMBL560175 0.73 MTNR1A (0.48) MTNR1ASLC6A3ALDH1A1HTTPDE4A
SCHEMBL559712 0.73 MTNR1A (0.48) MTNR1AALDH1A1PDE4APDE4BPDE4C
SCHEMBL559629 0.73 MTNR1A (0.48) MTNR1ASLC6A3ALDH1A1PDE4APDE4B
SCHEMBL560228 0.72 MTNR1A (0.46) MTNR1ANPC1MAPTRAB9AALDH1A1

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 394/4885TUBB4A 291/4885TUBB 122/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 MTNR1A 394/4885TUBB4A 291/4885TUBB 122/4885

“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.