SCHEMBL1688154

SCHEMBL1688154

CO[C@@H]1CCc2c(C)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
FFAR1 O14842 1/20 0.43
OPRL1 P41146 3/20 0.37
KCNH2 Q12809 1/20 0.37
HTR2C P28335 4/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
TSHR P16473 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HTR5A P47898 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 2/20 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
SCHEMBL18347083 1.00 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL18347074 1.00 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL12086792 0.91 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL15493102 0.85 HTR1A (0.35) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17001256 0.81 FFAR1 (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL15158682 0.81 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6055994 0.80 CYP1A1 (0.48) CYP1A2HTR1ADRD2DRD3
SCHEMBL1319331 0.80 GID4 (0.41) ADRA2AADRA1AMEN1CYP1A2HTR1A
SCHEMBL15458494 0.80 GID4 (0.41) ADRA2AADRA1AMEN1CYP1A2HTR1A
SCHEMBL12402657 0.80 GID4 (0.41) ADRA2AADRA1AMEN1CYP1A2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951019-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-04-24 US disclosed
US-9951019-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-04-24 US disclosed
US-20160376238-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-12-29 US disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
WO-2012046869-A1 CYCLIC AMIDE DERIVATIVE 持田製薬株式会社 (JP) 2012-04-12 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 (4 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-20160376238-A1 THERAPEUTIC COMPOUNDS SIRT2, SIRT1, SIRT3 ADRA2A 489/4885ADRA2B 659/4885ADRA2C 764/4885
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 ADRA2A 209/4885ADRA2B 191/4885ADRA2C 280/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 ADRA2A 210/4885ADRA2B 190/4885ADRA2C 284/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 ADRA2A 215/4885ADRA2B 150/4885ADRA2C 177/4885

“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.