SCHEMBL1804309

SCHEMBL1804309

COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.53
PRSS1 P07477 4/20 0.53
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
SIGMAR1 Q99720 2/20 0.51
CHRM4 P08173 1/20 0.49
FAAH O00519 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
GPR39 O43194 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1804308 1.00 F10 (0.53) F10PRSS1DRD2DRD3SIGMAR1
SCHEMBL2598185 1.00 F10 (0.53) F10PRSS1DRD2DRD3SIGMAR1
SCHEMBL852326 0.91 DRD2 (0.54) F10DRD2DRD3SIGMAR1CHRM4
SCHEMBL12617166 0.90 S1PR5 (0.53) F10PRSS1FAAH
SCHEMBL14351264 0.89 F10 (0.49) F10PRSS1FAAH
SCHEMBL23951589 0.89 RORC (0.56) SIGMAR1CHRM4FAAHMAPT
SCHEMBL28932944 0.89 RORC (0.56) SIGMAR1CHRM4FAAHMAPT
SCHEMBL5110560 0.88 RORC (0.57) F10PRSS1CHRM4
SCHEMBL4661703 0.88 RORC (0.57) F10PRSS1CHRM4
SCHEMBL4661705 0.88 RORC (0.57) F10PRSS1CHRM4

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 F10 3226/4885PRSS1 1412/4885DRD2 50/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C F10 3226/4885PRSS1 1412/4885DRD2 50/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C F10 3226/4885PRSS1 1412/4885DRD2 50/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C F10 3226/4885PRSS1 1412/4885DRD2 50/4885

“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.