SCHEMBL550640

SCHEMBL550640

O=C(N1CC=C(c2ccccc2)CC1)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.39
ADAM10 O14672 3/20 0.38
ERBB2 P04626 3/20 0.38
MMP2 P08253 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC18A3 Q16572 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.36
MMP3 P08254 2/20 0.36

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
SCHEMBL550639 1.00 KCNH2 (0.43) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL550469 0.93 HRH3 (0.44) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL549240 0.81 HRH3 (0.45) KCNH2HRH3ALDH1A1SMN1; SMN2NPC1
SCHEMBL549239 0.81 HRH3 (0.45) KCNH2HRH3ALDH1A1SMN1; SMN2NPC1
SCHEMBL17081998 0.81 USP2 (0.41) HRH3MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL549513 0.81 USP2 (0.41) HRH3MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL549514 0.81 USP2 (0.41) HRH3MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL550355 0.80 AKR1C3 (0.46) HRH3ALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL550354 0.80 AKR1C3 (0.46) HRH3ALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL549227 0.80 HSD11B1 (0.39) HRH3ALDH1A1

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 14 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US claimed
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP claimed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US claimed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO 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-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 KCNH2 3708/4885HRH3 1926/4885MEN1 229/4885
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 KCNH2 3708/4885HRH3 1926/4885MEN1 229/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 KCNH2 3708/4885HRH3 1926/4885MEN1 229/4885

“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.