SCHEMBL550818

SCHEMBL550818

N#CC[C@H]1CC[C@H](N2CCC3(CCCN(c4ccc(C(F)(F)F)cn4)C3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
HCRTR2 O43614 2/20 0.39
DPP4 P27487 3/20 0.39
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
CXCR3 P49682 5/20 0.38
HSD11B1 P28845 2/20 0.37
CHRM4 P08173 1/20 0.36
HCRTR1 O43613 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL550819 1.00 HTR7 (0.42) HTR7HCRTR2DPP4KDM1AKDM4E
SCHEMBL17082030 1.00 HTR7 (0.42) HTR7HCRTR2DPP4KDM1AKDM4E
SCHEMBL17082026 0.88 HSD11B1 (0.46) HTR7HCRTR2DPP4KDM4EABL1
SCHEMBL550693 0.88 HSD11B1 (0.46) HTR7HCRTR2DPP4KDM4EABL1
SCHEMBL550443 0.86 HSD11B1 (0.41) HTR7HCRTR2HSD11B1
SCHEMBL17082140 0.86 HSD11B1 (0.41) HTR7HCRTR2HSD11B1
SCHEMBL550444 0.86 HSD11B1 (0.41) HTR7HCRTR2HSD11B1
SCHEMBL549186 0.86 KDM4E (0.45) HTR7HCRTR2DPP4KDM4EABL1
SCHEMBL549372 0.86 KDM4E (0.45) HTR7HCRTR2DPP4KDM4EABL1
SCHEMBL549187 0.86 KDM4E (0.45) HTR7HCRTR2DPP4KDM4EABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US claimed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US claimed
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP claimed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US claimed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US claimed
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US disclosed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 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-20060116382-A1 Lactam compounds and their use as pharmaceuticals HSD11B1, HSD11B2, HSD17B1 HTR7 3714/4885HCRTR2 3116/4885DPP4 1228/4885
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HTR7 3714/4885HCRTR2 3116/4885DPP4 1228/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HTR7 3714/4885HCRTR2 3116/4885DPP4 1228/4885

“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.