Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570037

SCHEMBL4570037

SCHEMBL4570037

C#CCOC(=O)Nc1ccc(N2CCCC3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PDE7A Q13946 3/20 0.34
▸ NPY2R P49146 5/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32
▸ HSD11B1 P28845 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL4570209 0.92 ALDH1A1 (0.38) KMT2AMEN1MAPTPDE7ANPY2R
SCHEMBL17081992 0.92 ALDH1A1 (0.38) KMT2AMEN1MAPTPDE7ANPY2R
SCHEMBL4570097 0.91 ALK (0.35) MAPTCYP2C9
SCHEMBL4570135 0.90 ALDH1A1 (0.38) KMT2AMEN1MAPTPDE7ANPY2R
SCHEMBL17082101 0.90 ALDH1A1 (0.38) KMT2AMEN1MAPTPDE7ANPY2R
SCHEMBL4570133 0.89 SMN1; SMN2 (0.42) KMT2AMEN1MAPTPDE7ANPY2R
SCHEMBL17082120 0.89 SMN1; SMN2 (0.42) KMT2AMEN1MAPTPDE7ANPY2R
SCHEMBL4570038 0.88 PDE7A (0.38) KMT2AMEN1MAPTPDE7AALDH1A1
SCHEMBL17082095 0.88 SMN1; SMN2 (0.37) KMT2AMEN1MAPTPDE7ANPY2R
SCHEMBL4570134 0.88 SMN1; SMN2 (0.37) KMT2AMEN1MAPTPDE7ANPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 — — EP 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-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 KMT2A 3165/4885MEN1 229/4885MAPT 3735/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 KMT2A 3165/4885MEN1 229/4885MAPT 3735/4885

“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.