SCHEMBL590971

SCHEMBL590971

O=C(NCC12CCN(CC1)CC2)c1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.49
HTR4 Q13639 1/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
CHRM1 P11229 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CNR2 P34972 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL9458315 0.85 PREP (0.48) PREPHTR4PRMT5WDR77HDAC1
SCHEMBL7398258 0.82 KMT2A (0.54) PREPHTR4PRMT5WDR77HRH3
SCHEMBL10078783 0.81 HTR4 (0.48) PREPHTR4PRMT5WDR77HDAC1
SCHEMBL9078900 0.80 CNR2 (0.50) PREPHTR4PRMT5WDR77HDAC1
SCHEMBL9623178 0.77 HTR4 (0.50) PREPHTR4PRMT5WDR77HDAC1
SCHEMBL592213 0.77
SCHEMBL590888 0.76 HTR1A (0.55) CNR2KMT2ADRD2
SCHEMBL10288963 0.75 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12903051 0.75 PBRM1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL23162787 0.74 ADAM17 (0.59) PREPHTR4HDAC1HDAC2HDAC3

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
US-8114891-B2 4-substituted quinuclidine derivatives, methods of production, pharmaceutical uses thereof COMENTIS, INC. (US) 2012-02-14 US claimed
EP-2217597-B1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS INC (US) 2011-03-30 EP claimed
EP-2217597-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2010-08-18 EP claimed
WO-2009046025-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2009-04-09 WO claimed
US-20090088418-A1 4-SUBSTITUTED QUINUCLIDINE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF COMENTIS, INC. (US) 2009-04-02 US claimed
CN-104193741-B Quinuclidine-4-ylmethyl 1H-indole-3-carboxylic acid ester derivant as alpha 7 nicotinic acetylcholine receptor ligands 阿尔法梅根有限责任公司 2016-08-24 CN disclosed
US-8114891-B2 4-substituted quinuclidine derivatives, methods of production, pharmaceutical uses thereof COMENTIS, INC. (US) 2012-02-14 US disclosed
US-8114891-B2 4-substituted quinuclidine derivatives, methods of production, pharmaceutical uses thereof COMENTIS, INC. (US) 2012-02-14 US disclosed
US-8114891-B2 4-substituted quinuclidine derivatives, methods of production, pharmaceutical uses thereof COMENTIS, INC. (US) 2012-02-14 US disclosed
EP-2217597-B1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS INC (US) 2011-03-30 EP disclosed
EP-2217597-B1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS INC (US) 2011-03-30 EP disclosed
EP-2217597-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2010-08-18 EP disclosed
WO-2009046025-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2009-04-09 WO disclosed
WO-2009046025-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2009-04-09 WO disclosed
US-20090088418-A1 4-SUBSTITUTED QUINUCLIDINE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF COMENTIS, INC. (US) 2009-04-02 US disclosed
US-20090088418-A1 4-SUBSTITUTED QUINUCLIDINE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF COMENTIS, INC. (US) 2009-04-02 US disclosed
US-20090088418-A1 4-SUBSTITUTED QUINUCLIDINE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF COMENTIS, INC. (US) 2009-04-02 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-20090088418-A1 4-SUBSTITUTED QUINUCLIDINE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRNA7, CHRNA5, CHRNA4 PREP 2293/4885HTR4 143/4885PRMT5 1154/4885

“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.