SCHEMBL549514

SCHEMBL549514

O=C(N1CCN(c2ccc(-c3ccccc3)cc2)CC1)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 8/20 0.41
ALDH1A1 P00352 7/20 0.41
CYP2C9 P11712 6/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2C19 P33261 4/20 0.41
HPGD P15428 4/20 0.41
MAPK1 P28482 3/20 0.41
ALOX12 P18054 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CYP3A4 P08684 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
AKR1C3 P42330 4/20 0.40
ALOX15 P16050 2/20 0.40
SLC6A7 Q99884 2/20 0.39
POLB P06746 1/20 0.39
HIF1A Q16665 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38

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
SCHEMBL549513 1.00 USP2 (0.41) USP2ALDH1A1CYP2C9HSD17B10CYP1A2
SCHEMBL17081998 1.00 USP2 (0.41) USP2ALDH1A1CYP2C9HSD17B10CYP1A2
SCHEMBL550354 0.94 AKR1C3 (0.46) USP2ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL550355 0.94 AKR1C3 (0.46) USP2ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL549159 0.88 AKR1C3 (0.52) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL549158 0.88 AKR1C3 (0.52) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL17082145 0.88 AKR1C3 (0.52) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL550896 0.87 AKR1C3 (0.46) ALDH1A1CYP2C9CYP2C19HPGDMAPK1
SCHEMBL4570118 0.86 AKR1C3 (0.37) ALDH1A1HPGDSMN1; SMN2AKR1C3HRH3
SCHEMBL549394 0.86 CTSS (0.39) ALDH1A1HPGDSMN1; SMN2AKR1C3TP53

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 16 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
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 USP2 3895/4885ALDH1A1 177/4885CYP2C9 198/4885
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 USP2 3895/4885ALDH1A1 177/4885CYP2C9 198/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 USP2 3895/4885ALDH1A1 177/4885CYP2C9 198/4885

“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.