SCHEMBL3700541

SCHEMBL3700541

O=C(O)Nc1ccc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.39
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.37
EML4 Q9HC35 4/20 0.36
NPY2R P49146 1/20 0.36
RET P07949 2/20 0.35
ROS1 P08922 2/20 0.35
FLT3 P36888 2/20 0.35
CYP2C9 P11712 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
SCHEMBL2697960 1.00 ALK (0.39) ALKMAPTS1PR1EML4NPY2R
SCHEMBL5930343 1.00 ALK (0.39) ALKMAPTS1PR1EML4NPY2R
SCHEMBL3700537 1.00 ALK (0.39) ALKMAPTS1PR1EML4NPY2R
SCHEMBL2697962 1.00 ALK (0.39) ALKMAPTS1PR1EML4NPY2R
SCHEMBL3701831 0.94 S1PR1 (0.39) S1PR1NPY2RCYP2C9
SCHEMBL2700830 0.94 S1PR1 (0.39) S1PR1NPY2RCYP2C9
SCHEMBL551112 0.92 MAPT (0.40) ALKMAPTS1PR1EML4NPY2R
SCHEMBL551111 0.92 MAPT (0.40) ALKMAPTS1PR1EML4NPY2R
SCHEMBL2699038 0.92 MAPT (0.40) ALKMAPTS1PR1EML4NPY2R
SCHEMBL550881 0.92 MAPT (0.40) ALKMAPTS1PR1EML4NPY2R

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-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-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 ALK 3964/4885MAPT 3735/4885S1PR1 1221/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 ALK 3964/4885MAPT 3735/4885S1PR1 1221/4885

“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.