SCHEMBL550472

SCHEMBL550472

COc1ccnc(N2CCC[C@]3(CCN(C4CCOCC4)C3=O)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.44
HCRTR2 O43614 6/20 0.44
HTR1A P08908 1/20 0.44
TSPO P30536 1/20 0.44
LCAT P04180 1/20 0.38
CRBN Q96SW2 1/20 0.37
HSD11B1 P28845 1/20 0.36
OGA O60502 1/20 0.36
BACE1 P56817 2/20 0.35
CTSE P14091 1/20 0.35
EGFR P00533 2/20 0.35
CHRM4 P08173 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
SCHEMBL2699351 1.00 HCRTR1 (0.44) HCRTR1HCRTR2HTR1ATSPOLCAT
SCHEMBL5930352 1.00 HCRTR1 (0.44) HCRTR1HCRTR2HTR1ATSPOLCAT
SCHEMBL2699541 0.83 RBP4 (0.41) LCATHSD11B1OGACHRM4
SCHEMBL549292 0.83 RBP4 (0.41) LCATHSD11B1OGACHRM4
SCHEMBL5572210 0.79 CYP2D6 (0.40) LCATOGAEGFR
SCHEMBL2698071 0.77 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ATSPOCRBN
SCHEMBL551681 0.77 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ATSPOCRBN
SCHEMBL550544 0.77 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ATSPOCRBN
SCHEMBL2698066 0.77 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ATSPOCRBN
SCHEMBL551680 0.77 HCRTR1 (0.36) HCRTR1HCRTR2HTR1ATSPOCRBN

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 13 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-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 HCRTR1 2917/4885HCRTR2 3116/4885HTR1A 1185/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HCRTR1 2917/4885HCRTR2 3116/4885HTR1A 1185/4885

“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.