SCHEMBL1804230

SCHEMBL1804230

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
GRIN2B Q13224 2/20 0.44
S1PR5 Q9H228 2/20 0.42
S1PR1 P21453 1/20 0.41
DPP4 P27487 1/20 0.41
DRD2 P14416 7/20 0.40
DRD3 P35462 7/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM1A O60341 1/20 0.39
RORC P51449 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL860457 1.00 KMT2A (0.44) KMT2AMEN1HPGDGRIN2BS1PR5
SCHEMBL1804228 1.00 KMT2A (0.44) KMT2AMEN1HPGDGRIN2BS1PR5
SCHEMBL1802013 0.90 GRIN2B (0.41) KMT2AMEN1GRIN2BS1PR5S1PR1
SCHEMBL1802012 0.90 GRIN2B (0.41) KMT2AMEN1GRIN2BS1PR5S1PR1
SCHEMBL852106 0.89 ALDH1A1 (0.44) KMT2AMEN1GRIN2BDRD2DRD3
SCHEMBL852105 0.89 ALDH1A1 (0.44) KMT2AMEN1GRIN2BDRD2DRD3
SCHEMBL861642 0.87 GRIN2B (0.46) GRIN2BS1PR5S1PR1DPP4DRD2
SCHEMBL861641 0.87 GRIN2B (0.46) GRIN2BS1PR5S1PR1DPP4DRD2
SCHEMBL2598155 0.85 DPP4 (0.54) HPGDS1PR5S1PR1DPP4DRD2
SCHEMBL2598154 0.85 DPP4 (0.54) HPGDS1PR5S1PR1DPP4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP claimed
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 KMT2A 2790/4885MEN1 4095/4885HPGD 504/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C KMT2A 2790/4885MEN1 4095/4885HPGD 504/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C KMT2A 2790/4885MEN1 4095/4885HPGD 504/4885

“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.