SCHEMBL550785

SCHEMBL550785

COc1ccc(-c2ccc(N3CCC[C@]4(CCN([C@H]5CC[C@H](O)CC5)C4=O)C3)nc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.41
MTOR P42345 4/20 0.41
AKT1 P31749 1/20 0.40
RET P07949 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
SCD O00767 1/20 0.38
OTUD7B Q6GQQ9 2/20 0.38
PDE5A O76074 2/20 0.36
FYN P06241 1/20 0.36
HSD11B1 P28845 2/20 0.36
PDE6A P16499 1/20 0.35

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
SCHEMBL2700496 1.00 PIK3CA (0.41) PIK3CAMTORAKT1RETDDB1
SCHEMBL551857 1.00 PIK3CA (0.41) PIK3CAMTORAKT1RETDDB1
SCHEMBL2704265 0.91 PIK3CA (0.39) PIK3CADDB1CRBNHSD11B1
SCHEMBL551598 0.91 PIK3CA (0.39) PIK3CADDB1CRBNHSD11B1
SCHEMBL2704270 0.91 PIK3CA (0.39) PIK3CADDB1CRBNHSD11B1
SCHEMBL549892 0.91 PIK3CA (0.39) PIK3CADDB1CRBNHSD11B1
SCHEMBL551597 0.91 PIK3CA (0.39) PIK3CADDB1CRBNHSD11B1
SCHEMBL549891 0.91 PIK3CA (0.39) PIK3CADDB1CRBNHSD11B1
SCHEMBL549801 0.87 CHRNB2 (0.45) PIK3CAMTORAKT1RETHSD11B1
SCHEMBL550891 0.87 CHRNB2 (0.45) PIK3CAMTORAKT1RETHSD11B1

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
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-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 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-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 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
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 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 PIK3CA 599/4885MTOR 511/4885AKT1 327/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 PIK3CA 599/4885MTOR 511/4885AKT1 327/4885

“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.