SCHEMBL1147952

SCHEMBL1147952

COc1ccc2nccc(CC[C@]3(O)CC[C@@H](C(N)=O)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.53
MTNR1B P49286 4/20 0.53
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1147953 1.00 MTNR1A (0.53) MTNR1AMTNR1BKDM4EKMT2ALMNA
SCHEMBL1147949 1.00 MTNR1A (0.53) MTNR1AMTNR1BKDM4EKMT2ALMNA
SCHEMBL4792023 0.91 MTNR1A (0.43) MTNR1AMTNR1BKDM4EKMT2ASLC22A12
SCHEMBL3252542 0.91 MTNR1A (0.53) MTNR1AMTNR1BKDM4ELMNASLC22A12
SCHEMBL3250707 0.91 MTNR1A (0.53) MTNR1AMTNR1BKDM4ELMNASLC22A12
SCHEMBL3252537 0.91 MTNR1A (0.53) MTNR1AMTNR1BKDM4ELMNASLC22A12
SCHEMBL3686476 0.88 MTNR1A (0.51) MTNR1AMTNR1BKDM4ELMNASLC22A12
SCHEMBL3256511 0.87 MTNR1A (0.51) MTNR1AMTNR1BKDM4EKMT2ALMNA
SCHEMBL3256516 0.87 MTNR1A (0.51) MTNR1AMTNR1BKDM4EKMT2ALMNA
SCHEMBL3256520 0.87 MTNR1A (0.51) MTNR1AMTNR1BKDM4EKMT2ALMNA

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 3 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

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 1457/4885KDM4E 1497/4885

“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.