Sugi Predict

Sugi Predict / Compounds / SCHEMBL6461980

SCHEMBL6461980

SCHEMBL6461980

C=CCOc1ccccc1CNC[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 6/20 0.46
▸ NPY5R Q15761 6/20 0.46
▸ ADRA2A P08913 5/20 0.46
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL6880013 0.90 MCHR1 (0.49) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6456819 0.90 MCHR1 (0.49) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6875075 0.85 MCHR1 (0.50) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6878907 0.85 MCHR1 (0.61) MCHR1NPY5RADRA2A
SCHEMBL6878911 0.85 MCHR1 (0.61) MCHR1NPY5RADRA2A
Hydrochloric Acid SCHEMBL6456269 0.84 MCHR1 (0.60) MCHR1NPY5RADRA2A
SCHEMBL13792900 0.84 MCHR1 (0.63) MCHR1NPY5RADRA2AHTR2B
SCHEMBL6868739 0.83 MCHR1 (0.48) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6868742 0.83 MCHR1 (0.48) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6875375 0.83 MCHR1 (0.48) MCHR1NPY5RADRA2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 2/4885NPY5R 8/4885ADRA2A 117/4885

“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.