SCHEMBL1802013

SCHEMBL1802013

NNC(=O)c1ccc2c(c1)C(=O)NC[C@@H]1CN(Cc3ccccc3)C[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.41
DPP4 P27487 1/20 0.40
ACHE P22303 1/20 0.40
S1PR5 Q9H228 2/20 0.39
DRD2 P14416 4/20 0.39
DRD4 P21917 3/20 0.39
KCNH2 Q12809 2/20 0.38
S1PR1 P21453 1/20 0.38
SLC6A12 P48065 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
DRD3 P35462 2/20 0.38
KMT2A Q03164 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
MEN1 O00255 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL1802012 1.00 GRIN2B (0.41) GRIN2BDPP4ACHES1PR5DRD2
SCHEMBL860457 0.90 KMT2A (0.44) GRIN2BDPP4S1PR5DRD2S1PR1
SCHEMBL1804230 0.90 KMT2A (0.44) GRIN2BDPP4S1PR5DRD2S1PR1
SCHEMBL1804228 0.90 KMT2A (0.44) GRIN2BDPP4S1PR5DRD2S1PR1
SCHEMBL852105 0.87 ALDH1A1 (0.44) GRIN2BDRD2DRD3KMT2AMEN1
SCHEMBL852106 0.87 ALDH1A1 (0.44) GRIN2BDRD2DRD3KMT2AMEN1
SCHEMBL1805032 0.83 DPP4 (0.45) DPP4ACHEDRD2DRD3
SCHEMBL860408 0.83 DPP4 (0.45) DPP4ACHEDRD2DRD3
SCHEMBL860407 0.83 DPP4 (0.45) DPP4ACHEDRD2DRD3
SCHEMBL861641 0.83 GRIN2B (0.46) GRIN2BDPP4ACHES1PR5DRD2

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 9 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 GRIN2B 396/4885DPP4 1722/4885ACHE 1665/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C GRIN2B 396/4885DPP4 1722/4885ACHE 1665/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C GRIN2B 396/4885DPP4 1722/4885ACHE 1665/4885

“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.