SCHEMBL5777153

SCHEMBL5777153

COc1ccc2nccc(CC(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
CFTR P13569 2/20 0.45
SLC2A1 P11166 3/20 0.44
KCNH2 Q12809 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL4268442 0.83 ATM (0.48) MTNR1BCFTRSLC2A1KCNH2KDM4D
SCHEMBL3376051 0.80 MTNR1A (0.46) MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL3410554 0.80 MTNR1A (0.46) MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL3410549 0.80 MTNR1A (0.46) MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL3376049 0.80 MTNR1A (0.46) MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL4281088 0.79 SLC2A1 (0.69) SLC2A1KCNH2KDM4D
SCHEMBL13145838 0.78 DDR2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL13145890 0.77 KCNH2 (0.49) MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL5259099 0.76 LMNA (0.48) MTNR1AMTNR1BKCNH2
SCHEMBL13652558 0.76 ATM (0.42) CFTRSLC2A1KCNH2ATM

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
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed
US-6962917-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-11-08 US disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US 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-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 MTNR1A 1464/4885MTNR1B 1125/4885CFTR 1615/4885

“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.