SCHEMBL4570054

SCHEMBL4570054

COC(=O)Nc1ccc(N2CCC[C@]3(CCN(c4ccccc4Cl)C3=O)C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.44
RAB9A P51151 3/20 0.40
NPY5R Q15761 1/20 0.39
DDB1 Q16531 1/20 0.39
DGAT1 O75907 4/20 0.37
HSD11B1 P28845 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM4 P08173 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
SCHEMBL17082048 1.00 CRBN (0.44) CRBNRAB9ANPY5RDDB1DGAT1
SCHEMBL17082015 0.92 CRBN (0.42) CRBNRAB9ANPY5RDGAT1TRPV1
SCHEMBL4570055 0.92 CRBN (0.42) CRBNRAB9ANPY5RDGAT1TRPV1
SCHEMBL2701119 0.90 CRBN (0.44) CRBNRAB9ANPY5RDGAT1HSD11B1
SCHEMBL5930600 0.90 CRBN (0.44) CRBNRAB9ANPY5RDGAT1HSD11B1
SCHEMBL3700460 0.90 CRBN (0.44) CRBNRAB9ANPY5RDGAT1HSD11B1
SCHEMBL17082004 0.90 SMN1; SMN2 (0.41) CRBNRAB9ANPY5RDDB1DGAT1
SCHEMBL4570056 0.90 SMN1; SMN2 (0.41) CRBNRAB9ANPY5RDDB1DGAT1
SCHEMBL17081985 0.82 CRBN (0.42) CRBNRAB9ADDB1HSD11B1ALDH1A1
SCHEMBL549913 0.82 CRBN (0.42) CRBNRAB9ADDB1HSD11B1ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 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-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 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 (3 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 CRBN 2898/4885RAB9A 2128/4885NPY5R 1452/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 CRBN 4144/4885RAB9A 2716/4885NPY5R 3033/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 CRBN 2898/4885RAB9A 2128/4885NPY5R 1452/4885

“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.