SCHEMBL349455

SCHEMBL349455

OC1(c2ccncc2)CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 2/20 0.37
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRB2 P07550 1/20 0.33
NCF1 P14598 1/20 0.33
PLD1 Q13393 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
CYP19A1 P11511 2/20 0.32
MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL656102 0.88 DRD2 (0.60) DRD2CYP2D6CYP3A4ALDH1A1CYP2C19
SCHEMBL29544105 0.84 DRD2 (0.39) DRD2CYP2D6CYP3A4ALDH1A1CYP2C19
SCHEMBL485008 0.82 DRD2 (0.42) DRD2CYP2D6CYP3A4ALDH1A1CYP2C19
SCHEMBL15093944 0.80 HTR2A (0.59) DRD2HTR2ASIGMAR1SLC6A2HTR2C
SCHEMBL1205790 0.80 HTR2A (0.59) DRD2HTR2ASIGMAR1SLC6A2HTR2C
SCHEMBL15093670 0.80 HTR2A (0.59) DRD2HTR2ASIGMAR1SLC6A2HTR2C
SCHEMBL13501882 0.79 MEN1 (0.46) DRD2CYP3A4ALDH1A1CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL3545524 0.78 HTR2A (0.57) DRD2HTR2ASIGMAR1SLC6A2HTR2C
Hydrochloric Acid SCHEMBL3549944 0.78 MEN1 (0.45) DRD2CYP3A4ALDH1A1CYP2C19CYP2C9
SCHEMBL653842 0.77 DRD2 (0.79) DRD2HTR2ASLC6A2HTR2CSLC6A4

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-9957229-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2018-05-01 US disclosed
US-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2017-11-23 US disclosed
US-9670154-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2017-06-06 US disclosed
EP-2963021-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Holdings Corporation (US) 2016-01-06 EP disclosed
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2015-11-19 US disclosed
US-9126927-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US disclosed
EP-1756063-B1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-07-08 EP disclosed
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2012-01-19 US disclosed
US-8058288-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-11-15 US disclosed
US-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2010-10-07 US disclosed
US-7776874-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2010-08-17 US disclosed
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP disclosed
US-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes INCYTE CORPORATION (US) 2008-10-16 US disclosed
US-7304081-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2007-12-04 US disclosed
US-20070179142-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-02 US disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
US-20050282858-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-22 US disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO 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 (7 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-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DRD2 2432/4885CYP2D6 358/4885CYP3A4 584/4885
US-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DRD2 2432/4885CYP2D6 358/4885CYP3A4 584/4885
US-20050282858-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DRD2 2432/4885CYP2D6 358/4885CYP3A4 584/4885
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DRD2 2432/4885CYP2D6 358/4885CYP3A4 584/4885
US-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes HSD11B1, NR3C2, SRD5A1 DRD2 1017/4885CYP2D6 349/4885CYP3A4 415/4885
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DRD2 2432/4885CYP2D6 358/4885CYP3A4 584/4885
US-20070179142-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 DRD2 2432/4885CYP2D6 358/4885CYP3A4 584/4885

“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.