SCHEMBL1147841

SCHEMBL1147841

COc1ccc2nccc(CCN3CCC(C(N)=O)CC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.58
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
CCR8 P51685 2/20 0.44
HPGD P15428 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
SCHEMBL3248917 0.91 KCNH2 (0.59) KCNH2MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL1147952 0.81 MTNR1A (0.53) KCNH2MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL1147949 0.81 MTNR1A (0.53) KCNH2MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL1147953 0.81 MTNR1A (0.53) KCNH2MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL1147506 0.80 KCNH2 (0.61) KCNH2
SCHEMBL1147468 0.79 KCNH2 (0.49) KCNH2MTNR1AMTNR1B
SCHEMBL5740267 0.77 KCNH2 (0.49) KCNH2MTNR1AMTNR1BLMNACCR8
SCHEMBL24660527 0.77 KCNH2 (0.55) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL5725815 0.76 KCNH2 (0.59) KCNH2MTNR1AMTNR1B
SCHEMBL6560401 0.74 MTNR1A (0.74) MTNR1AMTNR1BALDH1A1

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 KCNH2 897/4885MTNR1A 1051/4885MTNR1B 1457/4885

“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.