Sugi Predict

Sugi Predict / Compounds / SCHEMBL6456933

SCHEMBL6456933

SCHEMBL6456933

CCOc1ccccc1CN[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.46
▸ ADRA2A P08913 4/20 0.46
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL6878706 1.00 MCHR1 (0.46) MCHR1ADRA2AMEN1KMT2AL3MBTL1
SCHEMBL6878940 0.89 MCHR1 (0.48) MCHR1ADRA2AMEN1KMT2AL3MBTL1
SCHEMBL6457942 0.89 MCHR1 (0.48) MCHR1ADRA2AMEN1KMT2AL3MBTL1
SCHEMBL6876389 0.83 MCHR1 (0.45) MCHR1ADRA2AL3MBTL1GAANPY5R
SCHEMBL6876384 0.83 MCHR1 (0.45) MCHR1ADRA2AL3MBTL1GAANPY5R
SCHEMBL13793852 0.83 MCHR1 (0.64) MCHR1ADRA2ANPY5R
SCHEMBL6458047 0.83 BCHE (0.43) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6872433 0.83 BCHE (0.43) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6873962 0.82 ADRA2A (0.45) MCHR1ADRA2AMEN1KMT2AL3MBTL1
SCHEMBL6873966 0.82 ADRA2A (0.45) MCHR1ADRA2AMEN1KMT2AL3MBTL1

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 — — WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP 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 (1 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885ADRA2A 117/4885MEN1 734/4885

“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.