SCHEMBL4570220

SCHEMBL4570220

CCCOC(=O)Nc1cnc(N2CCC[C@]3(CCN([C@H]4CC[C@@H](O)CC4)C3=O)C2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
OGA O60502 1/20 0.33
TSHR P16473 1/20 0.32
FSHR P23945 1/20 0.32
OPRK1 P41145 1/20 0.32
DHODH Q02127 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ACACB O00763 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31

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
SCHEMBL17082038 1.00 SMN1; SMN2 (0.38) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL17082072 1.00 SMN1; SMN2 (0.38) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL4570148 1.00 SMN1; SMN2 (0.38) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL17082191 0.94 ALDH1A1 (0.36) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL17082137 0.94 ALDH1A1 (0.36) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL4570147 0.94 ALDH1A1 (0.36) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL4570219 0.94 ALDH1A1 (0.36) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL10112691 0.93 SMN1; SMN2 (0.36) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL4570076 0.92 SMN1; SMN2 (0.38) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL17082131 0.92 SMN1; SMN2 (0.38) SMN1; SMN2TP53HPGDNPC1RAB9A

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-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-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 SMN1; SMN2 3517/4885TP53 4797/4885HPGD 45/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 SMN1; SMN2 3517/4885TP53 4797/4885HPGD 45/4885

“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.