SCHEMBL4274366

SCHEMBL4274366

CCOC(=O)Cc1ccnc2ccc(OC)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.59
MTNR1B P49286 3/20 0.59
LMNA P02545 2/20 0.54
KDM4E B2RXH2 6/20 0.53
ROCK2 O75116 1/20 0.53
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
GAA P10253 3/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 3/20 0.49
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL7143306 0.95 MTNR1A (0.55) MTNR1AMTNR1BLMNAKDM4EROCK2
SCHEMBL590805 0.88 MTNR1A (0.65) MTNR1AMTNR1BLMNAKDM4EROCK2
SCHEMBL4081621 0.82 MTNR1A (0.64) MTNR1AMTNR1BLMNAKDM4EROCK2
SCHEMBL6174947 0.81 PKM (0.54) LMNAKDM4ENPSR1CYP1A2ALDH1A1
SCHEMBL2544566 0.79 LMNA (0.68) MTNR1AMTNR1BLMNAKDM4EMAPK1
SCHEMBL30511844 0.79 MTNR1A (0.64) MTNR1AMTNR1BLMNAKDM4EROCK2
SCHEMBL24010540 0.79 HTR1A (0.56) MTNR1AMTNR1BLMNAKDM4EMAPK1
SCHEMBL2699530 0.79 MTNR1A (0.54) MTNR1AMTNR1BLMNAKDM4EROCK2
SCHEMBL16624680 0.78 ALDH1A1 (0.53) MTNR1AMTNR1BLMNAKDM4ENPSR1
SCHEMBL2544860 0.78 MTNR1A (0.61) MTNR1AMTNR1BLMNAKDM4EROCK2

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-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. 2006-01-19 US 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 (2 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 1125/4885LMNA 4533/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 MTNR1A 2179/4885MTNR1B 1963/4885LMNA 4536/4885

“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.