SCHEMBL1147845

SCHEMBL1147845

CCOc1ccc2nccc(CCC3(O)CCC(C(=O)O)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 3/20 0.44
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC22A12 Q96S37 5/20 0.38
PPARA Q07869 1/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1147843 1.00 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL1147842 1.00 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL4792023 0.91 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL3252542 0.91 MTNR1A (0.53) MTNR1AMTNR1BKDM4ECYP1A2SLC22A12
SCHEMBL3250707 0.91 MTNR1A (0.53) MTNR1AMTNR1BKDM4ECYP1A2SLC22A12
SCHEMBL3252537 0.91 MTNR1A (0.53) MTNR1AMTNR1BKDM4ECYP1A2SLC22A12
SCHEMBL1148173 0.90 MAPT (0.43) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL1148171 0.90 MAPT (0.43) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL1148169 0.90 MAPT (0.43) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL3256511 0.83 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1HPGDKDM4E

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 2 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
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-23 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-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES CBR3, RXFP4, ODC1 MTNR1A 1051/4885MTNR1B 1457/4885ALDH1A1 3639/4885

“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.