SCHEMBL905368

SCHEMBL905368

c1ccc2c(c1)oc1ccc(OC3CN4CCC3CC4)cc12

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
ACSL3 O95573 1/20 0.43
ACSL1 P33121 1/20 0.43
ACSL6 Q9UKU0 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 1/20 0.42
CHRNA7 P36544 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
SCHEMBL1794125 0.90 ACSL1 (0.56) NPC1ACSL3ACSL1ACSL6CHRNA7
SCHEMBL1794239 0.90 ACSL1 (0.56) NPC1ACSL3ACSL1ACSL6CHRNA7
SCHEMBL1794127 0.90 ACSL1 (0.56) NPC1ACSL3ACSL1ACSL6CHRNA7
Fumaric Acid SCHEMBL905389 0.90 ACSL1 (0.46) LSSMAPTACSL3ACSL1ACSL6
Trifluoroacetic Acid SCHEMBL1796405 0.82 ACSL1 (0.55) NPC1ACSL3ACSL1ACSL6CHRNA7
Trifluoroacetic Acid SCHEMBL1794473 0.82 ACSL1 (0.55) NPC1ACSL3ACSL1ACSL6CHRNA7
SCHEMBL7328816 0.79 LMNA (0.48) NPC1MAPTACSL1ACSL6CHRM2
Hydrochloric Acid SCHEMBL7320442 0.78 LMNA (0.47) NPC1MAPTACSL1ACSL6CHRM2
SCHEMBL4198059 0.77 LSS (0.50) LSSCHRM2CHRM4CHRM5CHRM1
SCHEMBL7324169 0.77 LMNA (0.46) NPC1MAPTACSL1ACSL6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656375-B1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE NEUROSEARCH AS (DK) 2011-01-19 EP claimed
US-7750022-B2 Quinuclidine derivatives and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-07-06 US claimed
US-20060217415-A1 Novel quinuclidine derivatives and their pharmaceutical use ABBOTT LABORATORIES PATENT AND TRADEMARK DEPARTMENT (US) 2006-09-28 US claimed
EP-1656375-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2006-05-17 EP claimed
EP-1532144-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2005-05-25 EP claimed
WO-2005016923-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2005-02-24 WO claimed
WO-2004016608-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2004-02-26 WO claimed
EP-1656375-B1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE NEUROSEARCH AS (DK) 2011-01-19 EP disclosed
US-7750022-B2 Quinuclidine derivatives and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-07-06 US disclosed
US-20090005390-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S 2009-01-01 US disclosed
EP-1905771-A2 Quinuclidine derivatives and their use NeuroSearch A/S (DK) 2008-04-02 EP disclosed
US-20060217415-A1 Novel quinuclidine derivatives and their pharmaceutical use ABBOTT LABORATORIES PATENT AND TRADEMARK DEPARTMENT (US) 2006-09-28 US disclosed
EP-1656375-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2006-05-17 EP disclosed
US-20050245567-A1 Novel quinuclidine derivatives and their use NEUROSEARCH A/S (DK) 2005-11-03 US disclosed
EP-1532144-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2005-05-25 EP disclosed
WO-2005016923-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2005-02-24 WO disclosed
WO-2004016608-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2004-02-26 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-20090005390-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE ACHE, CHRNA5, CHRNA3 LSS 3273/4885NPC1 2856/4885MAPT 467/4885
US-20050245567-A1 Novel quinuclidine derivatives and their use ACHE, CHRNA5, CHRNA3 LSS 3273/4885NPC1 2856/4885MAPT 467/4885
US-20060217415-A1 Novel quinuclidine derivatives and their pharmaceutical use CHRNA5, ACHE, CHRNA3 LSS 3117/4885NPC1 2739/4885MAPT 559/4885

“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.