Sugi Predict

Sugi Predict / Compounds / SCHEMBL6466543

SCHEMBL6466543

SCHEMBL6466543

COc1cc(CCN[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ACHE P22303 9/20 0.42
▸ BCHE P06276 7/20 0.42
▸ CNR1 P21554 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ APP P05067 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CALM1 P0DP23 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
SCHEMBL6878174 1.00 MCHR1 (0.43) MCHR1ADRA2AACHEBCHECNR1
SCHEMBL6873997 0.90 ALDH1A1 (0.51) MCHR1ADRA2AACHEBCHECNR1
SCHEMBL6462936 0.90 ALDH1A1 (0.51) MCHR1ADRA2AACHEBCHECNR1
SCHEMBL6868411 0.83 MCHR1 (0.39) MCHR1ADRA2AACHEBCHEALDH1A1
SCHEMBL6868414 0.83 MCHR1 (0.39) MCHR1ADRA2AACHEBCHEALDH1A1
SCHEMBL6876352 0.83 MCHR1 (0.50) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6463847 0.83 MCHR1 (0.42) MCHR1ADRA2AACHEBCHECNR1
SCHEMBL6879122 0.83 MCHR1 (0.42) MCHR1ADRA2AACHEBCHECNR1
SCHEMBL6876346 0.83 MCHR1 (0.50) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6879219 0.83 ALDH1A1 (0.55) MCHR1ADRA2AACHEBCHETSHR

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 2/4885ADRA2A 117/4885ACHE 197/4885

“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.