SCHEMBL550557

SCHEMBL550557

O=C(N1CCN(c2cccc(Cl)c2)CC1)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
MMP2 P08253 2/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
ADAM17 P78536 1/20 0.40
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL17082051 1.00 AKR1C3 (0.47) AKR1C3HTR1AHTR2AHTR7HTR6
SCHEMBL550556 1.00 AKR1C3 (0.47) AKR1C3HTR1AHTR2AHTR7HTR6
SCHEMBL549155 0.90 FFAR4 (0.42) CA12CA1CA9MEN1KMT2A
SCHEMBL17082102 0.90 FFAR4 (0.42) CA12CA1CA9MEN1KMT2A
SCHEMBL549154 0.90 FFAR4 (0.42) CA12CA1CA9MEN1KMT2A
SCHEMBL549159 0.89 AKR1C3 (0.52) AKR1C3MEN1KMT2AMAPTHTT
SCHEMBL549158 0.89 AKR1C3 (0.52) AKR1C3MEN1KMT2AMAPTHTT
SCHEMBL17082145 0.89 AKR1C3 (0.52) AKR1C3MEN1KMT2AMAPTHTT
SCHEMBL550354 0.89 AKR1C3 (0.46) AKR1C3HTTTSHRMMP2LMNA
SCHEMBL550355 0.89 AKR1C3 (0.46) AKR1C3HTTTSHRMMP2LMNA

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 46/4885HTR1A 1185/4885HTR2A 2795/4885
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 AKR1C3 46/4885HTR1A 1185/4885HTR2A 2795/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 AKR1C3 46/4885HTR1A 1185/4885HTR2A 2795/4885

“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.