SCHEMBL553638

SCHEMBL553638

N#Cc1ccc(N2CCCC3(CCN(C4CCOCC4)C3=O)C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
KCNJ1 P48048 13/20 0.41
GPR119 Q8TDV5 1/20 0.40
KCNH2 Q12809 2/20 0.39
HSD11B1 P28845 2/20 0.38
HSD11B2 P80365 1/20 0.38
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL553637 1.00 HTR7 (0.44) HTR7KCNJ1GPR119KCNH2HSD11B1
SCHEMBL2699883 1.00 HTR7 (0.44) HTR7KCNJ1GPR119KCNH2HSD11B1
SCHEMBL549431 0.89 HTR7 (0.43) HTR7KCNJ1GPR119KCNH2HSD11B1
SCHEMBL549430 0.89 HTR7 (0.43) HTR7KCNJ1GPR119KCNH2HSD11B1
SCHEMBL550542 0.85 HSD11B1 (0.38) HSD11B1
SCHEMBL550741 0.85 HSD11B1 (0.47) HTR7GPR119HSD11B1
SCHEMBL2702078 0.85 HSD11B1 (0.47) HTR7GPR119HSD11B1
SCHEMBL2697857 0.85 HSD11B1 (0.38) HSD11B1
SCHEMBL550575 0.82 HTR7 (0.45) HTR7GPR119HSD11B1
SCHEMBL550607 0.82 HTR7 (0.45) HTR7GPR119HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HTR7 3714/4885KCNJ1 3579/4885GPR119 723/4885

“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.