SCHEMBL550786

SCHEMBL550786

O=C(N1CCN(c2ccc(C(F)(F)F)cc2)CC1)N1CCCC2(CCN([C@H]3CC[C@H](O)CC3)C2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.48
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
CCR2 P41597 1/20 0.39
HSD11B1 P28845 1/20 0.39
HTR7 P34969 1/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
FPR2 P25090 2/20 0.37
EBP Q15125 2/20 0.37
CHRM2 P08172 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 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
SCHEMBL550787 1.00 AKR1C3 (0.48) AKR1C3CA12CA2CA9MMP2
SCHEMBL549196 0.89 POLB (0.50) HTR7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL17082141 0.89 POLB (0.50) HTR7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL549195 0.89 POLB (0.50) HTR7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL17082145 0.87 AKR1C3 (0.52) AKR1C3ADAMTS5HSD11B1ALDH1A1LMNA
SCHEMBL549159 0.87 AKR1C3 (0.52) AKR1C3ADAMTS5HSD11B1ALDH1A1LMNA
SCHEMBL549158 0.87 AKR1C3 (0.52) AKR1C3ADAMTS5HSD11B1ALDH1A1LMNA
SCHEMBL550354 0.87 AKR1C3 (0.46) AKR1C3MMP2ALDH1A1LMNAHPGD
SCHEMBL550355 0.87 AKR1C3 (0.46) AKR1C3MMP2ALDH1A1LMNAHPGD
SCHEMBL17082032 0.87 KDM4E (0.46) MMP2HTR7CHRM2ALDH1A1LMNA

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 12 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
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 AKR1C3 46/4885CA12 1530/4885CA2 1503/4885
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 AKR1C3 46/4885CA12 1530/4885CA2 1503/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 AKR1C3 46/4885CA12 1530/4885CA2 1503/4885

“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.