SCHEMBL6462622

SCHEMBL6462622

CCOc1cc(CNC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.42
ACHE P22303 3/20 0.39
MCHR1 Q99705 6/20 0.37
ADRA2A P08913 2/20 0.37
NPY5R Q15761 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BACE1 P56817 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
DRD2 P14416 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35

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
SCHEMBL6462635 1.00 SSTR5 (0.42) SSTR5ACHEMCHR1ADRA2ANPY5R
SCHEMBL6459962 0.90 ACHE (0.46) SSTR5ACHEKMT2ABACE1HRH1
SCHEMBL6868413 0.87 MCHR1 (0.41) ACHEMCHR1ADRA2ANPY5RBACE1
SCHEMBL6868419 0.87 MCHR1 (0.41) ACHEMCHR1ADRA2ANPY5RBACE1
SCHEMBL6875258 0.86 ACHE (0.51) ACHEMCHR1ADRA2ANPY5RKDM4E
SCHEMBL6467019 0.86 ACHE (0.51) ACHEMCHR1ADRA2ANPY5RKDM4E
SCHEMBL6876619 0.84 MCHR1 (0.42) MCHR1ADRA2ANPY5RDRD2MERTK
SCHEMBL6875018 0.84 ACHE (0.43) ACHEMCHR1ADRA2ANPY5RGAA
SCHEMBL6875044 0.84 ACHE (0.43) ACHEMCHR1ADRA2ANPY5RGAA
SCHEMBL6876624 0.84 MCHR1 (0.42) MCHR1ADRA2ANPY5RDRD2MERTK

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 3 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
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
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 SSTR5 47/4885ACHE 197/4885MCHR1 2/4885

“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.