SCHEMBL549801

SCHEMBL549801

COc1ccc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3=O)C2)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 4/20 0.45
LCAT P04180 1/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
PIK3CA P42336 6/20 0.37
MTOR P42345 4/20 0.37
AKT1 P31749 1/20 0.37
RET P07949 1/20 0.36
HSD11B1 P28845 1/20 0.35
TTK P33981 1/20 0.35
PLK1 P53350 1/20 0.35
OGA O60502 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL2702630 1.00 CHRNB2 (0.45) CHRNB2CHRNA4LCATCHRNB4CHRNA3
SCHEMBL549800 1.00 CHRNB2 (0.45) CHRNB2CHRNA4LCATCHRNB4CHRNA3
SCHEMBL550890 1.00 CHRNB2 (0.45) CHRNB2CHRNA4LCATCHRNB4CHRNA3
SCHEMBL550891 1.00 CHRNB2 (0.45) CHRNB2CHRNA4LCATCHRNB4CHRNA3
SCHEMBL2702628 1.00 CHRNB2 (0.45) CHRNB2CHRNA4LCATCHRNB4CHRNA3
SCHEMBL550785 0.87 PIK3CA (0.41) PIK3CAMTORAKT1RETHSD11B1
SCHEMBL2700496 0.87 PIK3CA (0.41) PIK3CAMTORAKT1RETHSD11B1
SCHEMBL551857 0.87 PIK3CA (0.41) PIK3CAMTORAKT1RETHSD11B1
SCHEMBL549739 0.84 CYP3A4 (0.41) HSD11B1HRH3
SCHEMBL550796 0.84 CYP3A4 (0.41) 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 6 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-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 CHRNB2 3309/4885CHRNA4 3531/4885LCAT 661/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 CHRNB2 3309/4885CHRNA4 3531/4885LCAT 661/4885

“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.