SCHEMBL851805

SCHEMBL851805

N#Cc1ccccc1C1CN(Cc2ccccc2)CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.46
S1PR1 P21453 1/20 0.46
RORC P51449 1/20 0.46
DRD2 P14416 6/20 0.44
DRD3 P35462 6/20 0.44
FUCA1 P04066 2/20 0.41
TBXA2R P21731 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM4 P08173 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL13041176 0.81 S1PR5 (0.49) S1PR5S1PR1RORCDRD2DRD3
SCHEMBL23924454 0.81 S1PR5 (0.49) S1PR5S1PR1RORCDRD2DRD3
SCHEMBL1897605 0.81 S1PR5 (0.49) S1PR5S1PR1RORCDRD2DRD3
SCHEMBL23924457 0.81 S1PR5 (0.49) S1PR5S1PR1RORCDRD2DRD3
SCHEMBL1896734 0.79 S1PR5 (0.50) S1PR5S1PR1RORCDRD2DRD3
SCHEMBL12303485 0.78 RORC (0.64) S1PR5S1PR1RORCFUCA1
SCHEMBL419234 0.78 RORC (0.64) S1PR5S1PR1RORCFUCA1
SCHEMBL8484105 0.78 RORC (0.64) S1PR5S1PR1RORCFUCA1
SCHEMBL1752470 0.78 RORC (0.64) S1PR5S1PR1RORCFUCA1
SCHEMBL1751711 0.78 RORC (0.64) S1PR5S1PR1RORCFUCA1

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 16 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
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
CN-102712643-A Modulators of 5-HT receptors and methods of use thereof ABBOTT LAB 2012-10-03 CN disclosed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO 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 S1PR5 137/4885S1PR1 194/4885RORC 2334/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C S1PR5 137/4885S1PR1 194/4885RORC 2334/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C S1PR5 137/4885S1PR1 194/4885RORC 2334/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C S1PR5 137/4885S1PR1 194/4885RORC 2334/4885

“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.