SCHEMBL4085676

SCHEMBL4085676

O=C(O)N(CC1CCCCC1)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 2/20 0.41
EPHX2 P34913 1/20 0.40
PKM P14618 1/20 0.40
AGER Q15109 2/20 0.39
MTNR1A P48039 1/20 0.39
ATM Q13315 1/20 0.39
PTGES O14684 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL4080637 0.87 KMT2A (0.42) KMT2AMEN1HDAC1HDAC6LPAR1
SCHEMBL4684696 0.78 HTT (0.50) KMT2AMEN1HDAC1HDAC6EPHX2
SCHEMBL6615760 0.75 LMNA (0.50) KMT2AMEN1PKMAGERMTNR1A
SCHEMBL29926403 0.74 LPAR1 (0.46) HDAC1HDAC6LPAR1LPAR5AGER
SCHEMBL6079035 0.74 CHRM2 (0.54)
SCHEMBL2668587 0.73 ALOX5 (0.41) KMT2AMEN1LPAR1LPAR5LMNA
SCHEMBL1925149 0.73 TDP1 (0.53) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL17078095 0.73 TSHR (0.48) KMT2AMEN1LMNAOPRM1
SCHEMBL12204358 0.72 ALOX5 (0.40) EPHX1NPC1RAB9A
SCHEMBL17840247 0.71 CHRM3 (0.52) PKMOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US disclosed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US disclosed
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US disclosed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US disclosed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 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 (3 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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 KMT2A 1495/4885MEN1 2781/4885HDAC1 631/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 KMT2A 1445/4885MEN1 1644/4885HDAC1 851/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 KMT2A 1241/4885MEN1 2789/4885HDAC1 521/4885

“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.