SCHEMBL549159

SCHEMBL549159

O=C(N1CCN(c2ccc(Cl)cc2)CC1)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
HSD11B1 P28845 4/20 0.46
GFER P55789 3/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.38
ADAMTS5 Q9UNA0 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
SCHEMBL549158 1.00 AKR1C3 (0.52) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL17082145 1.00 AKR1C3 (0.52) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL550355 0.90 AKR1C3 (0.46) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL550354 0.90 AKR1C3 (0.46) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL550557 0.89 AKR1C3 (0.47) AKR1C3ALDH1A1LMNAHTTHSD11B1
SCHEMBL551118 0.89 MAPT (0.46) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL17082051 0.89 AKR1C3 (0.47) AKR1C3ALDH1A1LMNAHTTHSD11B1
SCHEMBL550556 0.89 AKR1C3 (0.47) AKR1C3ALDH1A1LMNAHTTHSD11B1
SCHEMBL551119 0.89 MAPT (0.46) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL17082076 0.89 MAPT (0.46) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD

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
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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US disclosed
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP disclosed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US disclosed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 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 (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 AKR1C3 46/4885ALDH1A1 177/4885SMN1; SMN2 3517/4885
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 AKR1C3 46/4885ALDH1A1 177/4885SMN1; SMN2 3517/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 AKR1C3 46/4885ALDH1A1 177/4885SMN1; SMN2 3517/4885

“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.