SCHEMBL861333

SCHEMBL861333

O=C1NC[C@H]2CN(Cc3ccccc3)C[C@@H]2c2c(Cl)cccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.50
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
DPP4 P27487 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40

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
SCHEMBL2598984 1.00 PARP1 (0.50) PARP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL861334 1.00 PARP1 (0.50) PARP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL2598986 1.00 PARP1 (0.50) PARP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL861308 0.88 PARP1 (0.47) PARP1KDM4ES1PR1S1PR5DRD2
SCHEMBL861309 0.88 PARP1 (0.47) PARP1KDM4ES1PR1S1PR5DRD2
SCHEMBL1802635 0.88 PARP1 (0.47) PARP1KDM4ES1PR1S1PR5DRD2
SCHEMBL2598990 0.88 PARP1 (0.47) PARP1KDM4ES1PR1S1PR5DRD2
SCHEMBL1802637 0.88 PARP1 (0.47) PARP1KDM4ES1PR1S1PR5DRD2
SCHEMBL2598992 0.88 PARP1 (0.47) PARP1KDM4ES1PR1S1PR5DRD2
SCHEMBL2598895 0.84 DRD2 (0.50) PARP1S1PR1S1PR5DPP4DRD2

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 18 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 claimed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US claimed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP claimed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO claimed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 US 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
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 PARP1 3789/4885KDM4E 1480/4885MEN1 4095/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PARP1 3789/4885KDM4E 1480/4885MEN1 4095/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PARP1 3789/4885KDM4E 1480/4885MEN1 4095/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PARP1 3789/4885KDM4E 1480/4885MEN1 4095/4885

“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.