SCHEMBL12347459

SCHEMBL12347459

CC1(C)ON(c2cccc3[nH]ccc23)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.47
HTR6 P50406 1/20 0.47
AHR P35869 1/20 0.42
GAA P10253 6/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
MAPT P10636 3/20 0.37
GOT1 P17174 6/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CD O00329 1/20 0.36
PHGDH O43175 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL27923240 0.70 ADRB1 (0.51) ADRB1HTR6AHRGAADRD2
SCHEMBL16719806 0.69 ADRB1 (0.54) ADRB1HTR6AHRGAADRD2
SCHEMBL30557150 0.67 ADRB1 (0.51) ADRB1HTR6AHRGAADRD2
SCHEMBL20581870 0.67 ADRB1 (0.75) ADRB1HTR6GAADRD2DRD4
SCHEMBL9703840 0.67 ADRB1 (0.69) ADRB1HTR6GAADRD2DRD4
SCHEMBL476853 0.67 AHR (0.42) ADRB1HTR6AHRGAADRD2
SCHEMBL4306478 0.67 ADRB1 (0.69) ADRB1HTR6GAADRD2DRD4
SCHEMBL29374726 0.67 AHR (0.42) ADRB1HTR6AHRGAADRD2
SCHEMBL29941044 0.67 ADRB1 (0.69) ADRB1HTR6GAADRD2DRD4
SCHEMBL488782 0.67 AHR (0.42) ADRB1HTR6AHRGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 ADRB1 2303/4885HTR6 3348/4885AHR 4036/4885

“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.