SCHEMBL549782

SCHEMBL549782

O=C1N(C2CCC(O)CC2)CC[C@]12CCCN(c1ccc(F)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOTUM Q6P988 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DEGS1 O15121 1/20 0.33
LCAT P04180 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL2697948 1.00 HSD11B1 (0.40) HSD11B1NPC1RAB9AALDH1A1TP53
SCHEMBL4570129 1.00 HSD11B1 (0.40) HSD11B1NPC1RAB9AALDH1A1TP53
SCHEMBL17082157 1.00 HSD11B1 (0.40) HSD11B1NPC1RAB9AALDH1A1TP53
SCHEMBL549361 1.00 HSD11B1 (0.40) HSD11B1NPC1RAB9AALDH1A1TP53
SCHEMBL17082159 1.00 HSD11B1 (0.40) HSD11B1NPC1RAB9AALDH1A1TP53
SCHEMBL550804 1.00 HSD11B1 (0.40) HSD11B1NPC1RAB9AALDH1A1TP53
SCHEMBL4570130 1.00 HSD11B1 (0.40) HSD11B1NPC1RAB9AALDH1A1TP53
SCHEMBL549101 0.90 ALDH1A1 (0.42) HSD11B1NPC1RAB9AALDH1A1TP53
SCHEMBL550344 0.88 HSD11B1 (0.40) HSD11B1NPC1RAB9AALDH1A1TP53
SCHEMBL550413 0.88 HSD11B1 (0.38) HSD11B1HRH3

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 7 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
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US claimed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885NPC1 722/4885RAB9A 2128/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885NPC1 722/4885RAB9A 2128/4885

“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.