SCHEMBL585747

SCHEMBL585747

O=C(c1ccco1)N1CC2=CNCC2C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.56
CHRNB4 P30926 5/20 0.56
CHRNA3 P32297 5/20 0.56
CHRNA7 P36544 5/20 0.56
CHRNA4 P43681 5/20 0.56
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 3/20 0.44
GRM5 P41594 1/20 0.43
TP53 P04637 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
SCHEMBL17061693 0.74 HPGD (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL15618172 0.73 HPGD (0.50) ALDH1A1LMNATP53
SCHEMBL584751 0.72 CHRNA4 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3285355 0.70 CCR5 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL585513 0.70 CHRNA4 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16026437 0.69 ALDH1A1 (0.83) RAB9AALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL4748498 0.69 ALDH1A1 (0.87) RAB9AALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL61103 0.69 ALDH1A1 (0.87) RAB9AALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL3337988 0.69 CHRNB2 (0.72) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3334841 0.68 CHRNA4 (0.84) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580434-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes ATTENUA, INC. (US) 2017-02-28 US disclosed
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CATALYST BIOSCIENCES, INC. 2016-02-11 US disclosed
US-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT INC (US) 2015-03-19 US disclosed
US-8921410-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2014-12-30 US disclosed
US-8859609-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2014-10-14 US disclosed
US-20130005789-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes TARGACEPT, INC. (US) 2013-01-03 US disclosed
US-20120289572-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes TARGACEPT, INC. (US) 2012-11-15 US disclosed
US-8268860-B2 Sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2012-09-18 US disclosed
EP-2284171-B1 Amides of diazabicycloalkanes selective for nicotinic acetylcholine receptor sub-types TARGACEPT INC (US) 2012-02-15 EP disclosed
US-8114889-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2012-02-14 US disclosed
EP-2094703-B1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT INC (US) 2011-05-11 EP disclosed
EP-2284171-A1 Amides of diazabicycloalkanes selective for nicotinic acetylcholine receptor sub-types Targacept, Inc. (US) 2011-02-16 EP disclosed
US-20100173932-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2010-07-08 US disclosed
US-20100081683-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGCEPT INC. (US) 2010-04-01 US disclosed
EP-2094703-A1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES Targacept, Inc. (US) 2009-09-02 EP disclosed
WO-2008057938-A1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2008-05-15 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 (6 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-20120289572-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes CHRNA2, CHRNE, CHRNA7 CHRNB2 5/4885CHRNB4 11/4885CHRNA3 7/4885
US-20130005789-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes CHRNA2, CHRNE, CHRNA7 CHRNB2 5/4885CHRNB4 11/4885CHRNA3 7/4885
US-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA4, CHRNA2, CHRNE CHRNB2 5/4885CHRNB4 6/4885CHRNA3 7/4885
US-20100081683-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA7, CHRNE, CHRNA2 CHRNB2 4/4885CHRNB4 9/4885CHRNA3 13/4885
US-20100173932-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA4, CHRNA2, CHRNE CHRNB2 5/4885CHRNB4 6/4885CHRNA3 7/4885
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA2, CHRNE, CHRNA7 CHRNB2 5/4885CHRNB4 11/4885CHRNA3 7/4885

“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.