Sugi Predict

Sugi Predict / Compounds / SCHEMBL6462999

SCHEMBL6462999

SCHEMBL6462999

CCOc1ccccc1CNC[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ NPY5R Q15761 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL6875398 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RALDH1A1SLC2A1
SCHEMBL6457420 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RALDH1A1DRD2
SCHEMBL6877348 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RALDH1A1DRD2
SCHEMBL6457227 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RMAPK14DRD2
SCHEMBL6876367 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RMAPK14DRD2
SCHEMBL6876624 0.89 MCHR1 (0.42) MCHR1ADRA2ANPY5RHCRTR2MAPK14
SCHEMBL6876619 0.89 MCHR1 (0.42) MCHR1ADRA2ANPY5RHCRTR2MAPK14
SCHEMBL6874708 0.88 MCHR1 (0.42) MCHR1ADRA2ANPY5RCDK4MAPK14
SCHEMBL6874714 0.88 MCHR1 (0.42) MCHR1ADRA2ANPY5RCDK4MAPK14
SCHEMBL6878043 0.88 SLC2A1 (0.43) MCHR1ADRA2AALDH1A1SLC2A1LMNA

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-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
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 117/4885NPY5R 8/4885

“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.