Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570055

SCHEMBL4570055

SCHEMBL4570055

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.42
▸ DGAT1 O75907 7/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17082015 1.00 CRBN (0.42) CRBNDGAT1RAB9ANPY5RALDH1A1
SCHEMBL17082004 0.94 SMN1; SMN2 (0.41) CRBNDGAT1RAB9ANPY5RALDH1A1
SCHEMBL4570056 0.94 SMN1; SMN2 (0.41) CRBNDGAT1RAB9ANPY5RALDH1A1
SCHEMBL17082048 0.92 CRBN (0.44) CRBNDGAT1RAB9ANPY5RALDH1A1
SCHEMBL4570054 0.92 CRBN (0.44) CRBNDGAT1RAB9ANPY5RALDH1A1
SCHEMBL2701119 0.89 CRBN (0.44) CRBNDGAT1RAB9ANPY5RLMNA
SCHEMBL3700460 0.89 CRBN (0.44) CRBNDGAT1RAB9ANPY5RLMNA
SCHEMBL5930600 0.89 CRBN (0.44) CRBNDGAT1RAB9ANPY5RLMNA
SCHEMBL549509 0.81 SMN1; SMN2 (0.43) CRBNRAB9AALDH1A1KDM4ELMNA
SCHEMBL17081986 0.81 SMN1; SMN2 (0.43) CRBNRAB9AALDH1A1KDM4ELMNA

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 CRBN 2898/4885DGAT1 2016/4885RAB9A 2128/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 CRBN 2898/4885DGAT1 2016/4885RAB9A 2128/4885

“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.