SCHEMBL12126809

SCHEMBL12126809

CC#Cc1ccc(CN(CC)CC)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.57
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ PYCR1 P32322 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
SCHEMBL7768079 0.80 HRH3 (0.84) HRH3HDAC8HDAC6PYCR1
SCHEMBL541669 0.78 HRH3 (0.59) HRH3HDAC8HDAC6
SCHEMBL578620 0.78 HRH3 (0.59) HRH3HDAC8HDAC6PYCR1
SCHEMBL6412394 0.78 HRH3 (0.59) HRH3HDAC8HDAC6PYCR1
SCHEMBL26026491 0.76 CYP2A6 (0.56) —
SCHEMBL9333011 0.74 CYP2A6 (0.54) —
SCHEMBL1813157 0.74 HRH3 (0.67) HRH3HDAC8HDAC6PYCR1
SCHEMBL5926009 0.73 HRH3 (0.73) HRH3HDAC8HDAC6PYCR1
SCHEMBL12680476 0.73 HRH3 (1.00) HRH3HDAC8HDAC6PYCR1
Hydrochloric Acid SCHEMBL4461628 0.72 HRH3 (0.64) HRH3HDAC8HDAC6PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275615-A1 NOVEL SUBSTITUTED AMIDES, THEIR PREPARATION AND USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-11-10 — — US disclosed
US-20110275615-A1 NOVEL SUBSTITUTED AMIDES, THEIR PREPARATION AND USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-11-10 — — US disclosed
US-7956093-B2 Substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-06-07 — — US disclosed
US-7956093-B2 Substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-06-07 — — US disclosed
US-20080113989-A1 For example, N-(1-Carbamoyl-1-oxo-3-phenylpropan-2-yl)-2-(E-2-(4-(1-pyrrolidinylmethyl)phenyl)ethen-1-yl)benzamide; calcium channel blockers; cardiovascular disorders; antiarthritic agents; inhibitors of enzymes, especially cysteine proteases such as calpain and cathepsins ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-05-15 — — US disclosed
US-20080113989-A1 For example, N-(1-Carbamoyl-1-oxo-3-phenylpropan-2-yl)-2-(E-2-(4-(1-pyrrolidinylmethyl)phenyl)ethen-1-yl)benzamide; calcium channel blockers; cardiovascular disorders; antiarthritic agents; inhibitors of enzymes, especially cysteine proteases such as calpain and cathepsins ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-05-15 — — US disclosed
US-7276500-B2 Calcium channel blockers; cardiovascular disorders; antiarthritic agents ABBOTT GMBH & CO. KG (DE) 2007-10-02 — — US disclosed
US-7276500-B2 Calcium channel blockers; cardiovascular disorders; antiarthritic agents ABBOTT GMBH & CO. KG (DE) 2007-10-02 — — 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 (2 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-20110275615-A1 NOVEL SUBSTITUTED AMIDES, THEIR PREPARATION AND USE CBR3, CBR1, HRH4 HRH3 5/4885HDAC8 1633/4885HDAC6 1207/4885
US-20080113989-A1 For example, N-(1-Carbamoyl-1-oxo-3-phenylpropan-2-yl)-2-(E-2-(4-(1-pyrrolidinylmethyl)phenyl)ethen-1-yl)benzamide; calcium channel blockers; cardiovascular disorders; antiarthritic agents; inhibitors of enzymes, especially cysteine proteases such as calpain and cathepsins CAPN1, CAPNS1, CAPN2 HRH3 4432/4885HDAC8 654/4885HDAC6 203/4885

“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.

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