SCHEMBL1805972

SCHEMBL1805972

COc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CCC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
SIGMAR1 Q99720 2/20 0.48
CHRM4 P08173 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
CCR5 P51681 6/20 0.46
ACHE P22303 1/20 0.46
FAAH O00519 1/20 0.45
MCHR1 Q99705 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.43
TBXA2R P21731 1/20 0.43

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
SCHEMBL2599239 1.00 DRD2 (0.50) DRD2DRD3SIGMAR1CHRM4LMNA
SCHEMBL1805980 1.00 DRD2 (0.50) DRD2DRD3SIGMAR1CHRM4LMNA
SCHEMBL1805976 1.00 DRD2 (0.50) DRD2DRD3SIGMAR1CHRM4LMNA
SCHEMBL852326 0.82 DRD2 (0.54) DRD2DRD3SIGMAR1CHRM4LMNA
SCHEMBL1804308 0.81 F10 (0.53) DRD2DRD3SIGMAR1CHRM4LMNA
SCHEMBL2598185 0.81 F10 (0.53) DRD2DRD3SIGMAR1CHRM4LMNA
SCHEMBL1804309 0.81 F10 (0.53) DRD2DRD3SIGMAR1CHRM4LMNA
SCHEMBL2599329 0.80 DRD2 (0.51) DRD2DRD3SIGMAR1CHRM4LMNA
SCHEMBL2599237 0.79 SIGMAR1 (0.48) DRD2DRD3SIGMAR1CHRM4LMNA
SCHEMBL1804581 0.78 SIGMAR1 (0.47) DRD2DRD3SIGMAR1CHRM4LMNA

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 DRD2 50/4885DRD3 74/4885SIGMAR1 93/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C DRD2 50/4885DRD3 74/4885SIGMAR1 93/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C DRD2 50/4885DRD3 74/4885SIGMAR1 93/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C DRD2 50/4885DRD3 74/4885SIGMAR1 93/4885

“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.