SCHEMBL6456529

SCHEMBL6456529

COC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.47
ATM Q13315 2/20 0.46
PARP1 P09874 1/20 0.45
PARP3 Q9Y6F1 1/20 0.45
MCHR1 Q99705 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.42
NLRP3 Q96P20 2/20 0.42
GAA P10253 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL6456527 1.00 TACR3 (0.47) TACR3ATMPARP1PARP3MCHR1
SCHEMBL6867524 0.93 ELANE (0.44) TACR3ATMPARP1PARP3MCHR1
SCHEMBL6867518 0.93 ELANE (0.44) TACR3ATMPARP1PARP3MCHR1
SCHEMBL27651737 0.92 MCHR1 (0.45) MCHR1ADRA2A
SCHEMBL6879678 0.87 TSHR (0.54) MCHR1TSHRGAAADRA2A
SCHEMBL6879682 0.87 TSHR (0.54) MCHR1TSHRGAAADRA2A
SCHEMBL4030259 0.83 MCHR1 (0.58) TACR3ATMPARP1PARP3MCHR1
SCHEMBL4030257 0.83 MCHR1 (0.58) TACR3ATMPARP1PARP3MCHR1
SCHEMBL27632422 0.83 ALDH1A1 (0.43) MCHR1ADRA2A
SCHEMBL6876320 0.83 MCHR1 (0.41) MCHR1ADRA2A

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
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 TACR3 132/4885ATM 1504/4885PARP1 2979/4885

“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.