Sugi Predict

Sugi Predict / Compounds / SCHEMBL1018774

SCHEMBL1018774

SCHEMBL1018774

CCC1CCCC2CN(C(=O)CN3CCc4cc(C(C)=O)ccc4C3)CCN12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 4/20 0.38
▸ ALDH1A1 P00352 5/20 0.35
▸ PKM P14618 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL12707114 1.00 KDM2B (0.38) KDM2BALDH1A1PKMGAAHSD17B10
SCHEMBL1020289 0.89 KDM2B (0.39) KDM2BALDH1A1PKMGAAHSD17B10
SCHEMBL12707109 0.88 CARM1 (0.41) ALDH1A1PKMGAAHSD17B10PRMT5
SCHEMBL1604154 0.88 CARM1 (0.41) ALDH1A1PKMGAAHSD17B10PRMT5
SCHEMBL12707105 0.84 PRMT5 (0.37) ALDH1A1PKMGAAHSD17B10MAPK1
SCHEMBL1018350 0.84 PRMT5 (0.37) ALDH1A1PKMGAAHSD17B10MAPK1
SCHEMBL1017674 0.83 KDM2B (0.44) KDM2BL3MBTL1L3MBTL3PRMT5WDR77
SCHEMBL1017172 0.83 KDM2B (0.45) KDM2BALDH1A1PKMGAAHSD17B10
SCHEMBL1020433 0.81 KMT2A (0.42) ALDH1A1PKMGAAHSD17B10L3MBTL1
SCHEMBL12707120 0.81 KMT2A (0.42) ALDH1A1PKMGAAHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 — — US disclosed
EP-1998620-B1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2011-01-12 — — EP disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 — — US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 — — 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-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 KDM2B 2055/4885ALDH1A1 1229/4885PKM 1688/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 KDM2B 2055/4885ALDH1A1 1229/4885PKM 1688/4885

“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.