SCHEMBL1148121

SCHEMBL1148121

CCOC(=O)C1CCC(O)(CCc2cccc3ncc(OC)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.56
MTNR1A P48039 6/20 0.56
TP53 P04637 4/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1148119 1.00 MTNR1B (0.56) MTNR1BMTNR1ATP53MAPTALDH1A1
SCHEMBL1148117 1.00 MTNR1B (0.56) MTNR1BMTNR1ATP53MAPTALDH1A1
SCHEMBL1147517 0.89 MTNR1B (0.60) MTNR1BMTNR1AALDH1A1
SCHEMBL1147515 0.89 MTNR1B (0.60) MTNR1BMTNR1AALDH1A1
SCHEMBL1147514 0.89 MTNR1B (0.60) MTNR1BMTNR1AALDH1A1
SCHEMBL3256511 0.86 MTNR1A (0.51) MTNR1BMTNR1ATP53MAPTALDH1A1
SCHEMBL3256516 0.86 MTNR1A (0.51) MTNR1BMTNR1ATP53MAPTALDH1A1
SCHEMBL3256520 0.86 MTNR1A (0.51) MTNR1BMTNR1ATP53MAPTALDH1A1
SCHEMBL1148173 0.81 MAPT (0.43) MTNR1BMTNR1ATP53MAPTALDH1A1
SCHEMBL1148171 0.81 MAPT (0.43) MTNR1BMTNR1ATP53MAPTALDH1A1

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-7888359-B2 Cyclohexyl or piperidinyl carboxamide antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-02-15 US disclosed
EP-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP disclosed
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-23 US disclosed
EP-2001478-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-12-17 EP disclosed
WO-2007107965-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-27 WO 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-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES CBR3, RXFP4, ODC1 MTNR1B 1457/4885MTNR1A 1051/4885TP53 4315/4885

“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.