SCHEMBL12437186

SCHEMBL12437186

Cc1cccc2c1CC[C@H]2N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC6A4 P31645 2/20 0.44
AADAT Q8N5Z0 1/20 0.40
IDO1 P14902 1/20 0.39
OPRL1 P41146 2/20 0.39
KCNH2 Q12809 1/20 0.39
HTR2C P28335 4/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.36
OPRM1 P35372 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
SCHEMBL30229569 1.00 ACHE (0.48) ACHEADRA2AADRA2BADRA2CADRA1D
SCHEMBL1150672 1.00 ACHE (0.48) ACHEADRA2AADRA2BADRA2CADRA1D
SCHEMBL1151092 1.00 ACHE (0.48) ACHEADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL1981583 0.98 ACHE (0.50) ACHEADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL31186923 0.98 ACHE (0.50) ACHEADRA2AADRA2BADRA2CADRA1D
SCHEMBL3585626 0.90 ADRA2A (0.43) ACHEADRA2AADRA2BADRA2CADRA1D
SCHEMBL1150666 0.90 ADRA2A (0.43) ACHEADRA2AADRA2BADRA2CADRA1D
Methylamine SCHEMBL28781379 0.81 DRD2 (0.50) ACHEAADATIDO1DRD2DRD3
SCHEMBL17702023 0.80 DRD2 (0.53) ACHEAADATIDO1DRD2DRD3
SCHEMBL4666253 0.80 DRD2 (0.53) ACHEAADATIDO1DRD2DRD3

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-9447090-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-09-20 US disclosed
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2014-03-27 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
WO-2011060392-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 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-20110178143-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ANXA5 ACHE 123/4885ADRA2A 1550/4885ADRA2B 1943/4885
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS GUCY1A1, PDE2A, GUCY1A2 ACHE 1206/4885ADRA2A 337/4885ADRA2B 869/4885

“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.