SCHEMBL9688032

SCHEMBL9688032

CCOC(=O)C1CCc2ccc(OC)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
DRD2 P14416 5/20 0.52
DRD3 P35462 5/20 0.52
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
ACHE P22303 3/20 0.51
DRD4 P21917 2/20 0.51
ALDH1A1 P00352 5/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL630214 0.95 DRD2 (0.51) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL7289390 0.95 DRD2 (0.51) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL9370726 0.89 ALDH1A1 (0.54) MTNR1AMTNR1BALDH1A1POLBTDP1
SCHEMBL8074296 0.86 MTNR1A (0.63) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL545767 0.86 MTNR1A (0.63) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL8606735 0.86 MTNR1A (0.63) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL345882 0.82 MTNR1A (0.60) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL345881 0.82 MTNR1A (0.60) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL8603880 0.82 MTNR1A (0.60) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL22070476 0.82 CYP4F2 (0.59) DRD2DRD3ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-5130339-A Intestine and uterine motility modulators for reduction of intraocular pressure for glaucoma treatment SANOFI (FR) 1992-07-14 US disclosed
US-4939160-A Nootropic agents CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
US-4833169-A MEMORY ACTIVATORS CIBA-GEIGY CORPORATION (US) 1989-05-23 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A MTNR1A 93/4885MTNR1B 66/4885DRD2 63/4885

“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.