SCHEMBL3662063

SCHEMBL3662063

O=C1CCN(C(=O)OCC(Cl)(Cl)Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
POLB P06746 3/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL1053677 0.82 TSHR (0.37) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL6322610 0.80 PRMT5 (0.47) ALDH1A1HTTSMN1; SMN2TSHRKMT2A
SCHEMBL7678472 0.79 ALDH1A1 (0.43) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL29524977 0.79 ALDH1A1 (0.41) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL158497 0.77 TSHR (0.55) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL11643646 0.76 ALDH1A1 (0.44) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL3150494 0.76 CA2 (0.39) ALDH1A1POLBHTTSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL27776511 0.76 TSHR (0.53) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL27546731 0.75 LMNA (0.35) ALDH1A1POLBCHRM2CHRM4CHRM1
SCHEMBL8720475 0.75 ALDH1A1 (0.40) ALDH1A1POLBHTTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106188043-A Tetracyclic compound 梅迪维新技术公司 2016-12-07 CN disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140194414-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-10 US disclosed
US-20130203746-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES INC. 2013-08-08 US disclosed
US-20130190304-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130131054-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
EP-2217598-A1 NEW TETRACYCLIC COMPOUNDS Medivation Technologies, Inc. (US) 2010-08-18 EP disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 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 (6 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-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885POLB 4782/4885HTT 84/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885POLB 4782/4885HTT 84/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885POLB 4782/4885HTT 84/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885POLB 4782/4885HTT 84/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885POLB 4782/4885HTT 84/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885POLB 4782/4885HTT 84/4885

“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.