SCHEMBL1809109

SCHEMBL1809109

CCOC(=O)Cc1ccccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
SIGMAR1 Q99720 3/20 0.40
USP30 Q70CQ3 1/20 0.40
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ATM Q13315 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
RORC P51449 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1809107 1.00 L3MBTL1 (0.41) L3MBTL1SIGMAR1USP30S1PR1S1PR5
SCHEMBL852497 0.88 S1PR5 (0.44) L3MBTL1SIGMAR1USP30S1PR1S1PR5
SCHEMBL1805177 0.84 L3MBTL1 (0.43) L3MBTL1SIGMAR1S1PR1S1PR5CRHBP
SCHEMBL1805174 0.84 L3MBTL1 (0.43) L3MBTL1SIGMAR1S1PR1S1PR5CRHBP
SCHEMBL1805170 0.84 L3MBTL1 (0.43) L3MBTL1SIGMAR1S1PR1S1PR5CRHBP
SCHEMBL1896746 0.79 USP30 (0.51) L3MBTL1SIGMAR1USP30S1PR1S1PR5
SCHEMBL12620791 0.77 USP30 (0.43) L3MBTL1SIGMAR1USP30ATMCRHBP
SCHEMBL31450059 0.76 USP30 (0.50) L3MBTL1SIGMAR1USP30S1PR5ATM
SCHEMBL29960489 0.76 TBXA2R (0.51) L3MBTL1SIGMAR1USP30ATMRORC
SCHEMBL29960364 0.74 MEN1 (0.49) L3MBTL1SIGMAR1USP30ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US disclosed
US-9187483-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2641907-A1 Preparation of modulators of 5-HT receptors AbbVie Inc. (US) 2013-09-25 EP disclosed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 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 (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-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C L3MBTL1 3399/4885SIGMAR1 93/4885USP30 3337/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C L3MBTL1 3399/4885SIGMAR1 93/4885USP30 3337/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C L3MBTL1 3399/4885SIGMAR1 93/4885USP30 3337/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C L3MBTL1 3399/4885SIGMAR1 93/4885USP30 3337/4885

“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.