SCHEMBL4455867

SCHEMBL4455867

O=C(O)CCCCCCCCC(=O)NC1CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
HDAC3 O15379 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
NCOR2 Q9Y618 1/20 0.63
ALDH1A1 P00352 2/20 0.62
EPHX1 P07099 2/20 0.54
GNAI3 P08754 1/20 0.54
GNAO1 P09471 1/20 0.54
GNAI1 P63096 1/20 0.54
CNR1 P21554 2/20 0.53
CNR2 P34972 2/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52

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
SCHEMBL13708632 1.00 SMN1; SMN2 (0.69) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL27892099 0.98 SMN1; SMN2 (0.72) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL13544566 0.93 SMN1; SMN2 (0.65) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL14963068 0.92 SMN1; SMN2 (0.77) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL15480466 0.90 SMN1; SMN2 (0.81) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL28658599 0.89 SMN1; SMN2 (0.88) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL6549000 0.88 SMN1; SMN2 (0.84) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL10015691 0.86 ALDH1A1 (0.80) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL7699918 0.85 SMN1; SMN2 (0.67) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL12820363 0.84 SMN1; SMN2 (0.55) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931327-B1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-08-17 EP disclosed
EP-1931327-B1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-08-17 EP disclosed
CN-104744234-A Cyclopropyl compounds and compositions for delivering active agents MISPHERE TECH INC 2015-07-01 CN disclosed
US-8541362-B2 Cyclopropyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-09-24 US disclosed
US-8541362-B2 Cyclopropyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-09-24 US disclosed
US-8541362-B2 Cyclopropyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-09-24 US disclosed
US-20090220451-A1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-09-03 US disclosed
US-20090220451-A1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-09-03 US disclosed
US-20090220451-A1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-09-03 US disclosed
CN-101522627-A Cyclopropyl compounds and compositions for delivery of active agents EMISPHERE TECH INC (US) 2009-09-02 CN disclosed
EP-1931327-A2 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2008-06-18 EP disclosed
WO-2007022532-A2 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-02-22 WO disclosed
WO-2007022532-A2 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-02-22 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-20090220451-A1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS PAICS, ABCB4, ABCB11 SMN1; SMN2 71/4885HDAC3 1471/4885HDAC1 1195/4885

“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.