SCHEMBL1147472

SCHEMBL1147472

CCOC(=O)[C@H]1CC[C@](O)(C#Cc2ccnc3ccc(OC)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 5/20 0.46
TP53 P04637 3/20 0.46
KDM4E B2RXH2 6/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 2/20 0.41
SLC22A12 Q96S37 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL1147471 1.00 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL1147473 1.00 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL1147474 0.86 TP53 (0.45) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL1147477 0.86 TP53 (0.45) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL1147475 0.86 TP53 (0.45) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL1148213 0.81 KCNH2 (0.39) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL1148210 0.81 KCNH2 (0.39) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL1148209 0.81 KCNH2 (0.39) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL3256516 0.79 MTNR1A (0.51) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL3256511 0.79 MTNR1A (0.51) ALDH1A1MEN1KMT2AMAPTTP53

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 ALDH1A1 3639/4885MEN1 3525/4885KMT2A 2702/4885

“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.