SCHEMBL1805762

SCHEMBL1805762

CN1C[C@H]2CNC(=O)c3cc(O)ccc3[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
ANPEP P15144 1/20 0.34
DPP4 P27487 1/20 0.34
HSD17B1 P14061 2/20 0.34
OPRM1 P35372 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
MAPK1 P28482 1/20 0.33
PARP3 Q9Y6F1 3/20 0.32
PARP16 Q8N5Y8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
PARP1 P09874 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL853484 1.00 CDK5 (0.37) CDK5CDK5R1ANPEPDPP4HSD17B1
SCHEMBL861378 1.00 CDK5 (0.37) CDK5CDK5R1ANPEPDPP4HSD17B1
SCHEMBL2598004 0.85 PARP1 (0.39) MAPK1MEN1KMT2APARP1SLC6A2
SCHEMBL860850 0.85 PARP1 (0.39) MAPK1MEN1KMT2APARP1SLC6A2
SCHEMBL860851 0.85 PARP1 (0.39) MAPK1MEN1KMT2APARP1SLC6A2
SCHEMBL2598003 0.85 PARP1 (0.39) MAPK1MEN1KMT2APARP1SLC6A2
SCHEMBL1808782 0.84 CA12 (0.37) ANPEPDPP4PARP3KMT2ANR1H2
SCHEMBL2598123 0.84 KMT2A (0.41) DPP4LMNAMEN1KMT2APARP1
SCHEMBL2598124 0.84 KMT2A (0.41) DPP4LMNAMEN1KMT2APARP1
SCHEMBL860523 0.84 KMT2A (0.41) DPP4LMNAMEN1KMT2APARP1

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 CDK5 278/4885CDK5R1 169/4885ANPEP 2423/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C CDK5 278/4885CDK5R1 169/4885ANPEP 2423/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C CDK5 278/4885CDK5R1 169/4885ANPEP 2423/4885

“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.