SCHEMBL2885755

SCHEMBL2885755

CN(C)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
DEGS1 O15121 1/20 0.57
L3MBTL3 Q96JM7 2/20 0.51
MCHR1 Q99705 6/20 0.51
ATR Q13535 1/20 0.50
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
KDM1B Q8NB78 2/20 0.47
RCOR1 Q9UKL0 2/20 0.47
NAMPT P43490 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TRPV4 Q9HBA0 1/20 0.45

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
SCHEMBL12529199 0.85 MCHR1 (0.70) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL2889406 0.83 MCHR1 (0.73) L3MBTL3MCHR1ATR
SCHEMBL2886450 0.80 MCHR1 (0.58) L3MBTL3MCHR1ATR
SCHEMBL12532132 0.79 MCHR1 (0.66) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL2885651 0.79 ATR (0.57) DEGS1L3MBTL3MCHR1ATR
SCHEMBL12529849 0.79 MCHR1 (0.70) L3MBTL3MCHR1L3MBTL1
SCHEMBL12529873 0.77 MCHR1 (0.72) L3MBTL3MCHR1L3MBTL1
SCHEMBL1750064 0.77 MCHR1 (0.71) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL2887653 0.76 ATR (0.51) L3MBTL3MCHR1ATRL3MBTL1
SCHEMBL2888035 0.76 L3MBTL3 (0.50) L3MBTL3MCHR1ATRL3MBTL1TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270440-A1 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH (US) 2007-11-22 US claimed
US-20020183518-A1 Modulators of proteins with phosphotyrosine recognition units ONTOGEN CORPORATION 2002-12-05 US claimed
US-6388076-B1 ANTIPROLIFERATIVE AGENTS; SKIN DISORDERS; OSTEOPOROSIS ONTOGEN CORPORATION 2002-05-14 US claimed
US-7842715-B2 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH LLC (US) 2010-11-30 US disclosed
EP-2082740-A2 Use of imidazole derivatives as MDR modulators Taiji Biomedical, Inc. (US) 2009-07-29 EP disclosed
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 EP disclosed
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 WO disclosed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 WO disclosed
US-20070270440-A1 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH (US) 2007-11-22 US disclosed
US-20020183518-A1 Modulators of proteins with phosphotyrosine recognition units ONTOGEN CORPORATION 2002-12-05 US disclosed
US-6388076-B1 ANTIPROLIFERATIVE AGENTS; SKIN DISORDERS; OSTEOPOROSIS ONTOGEN CORPORATION 2002-05-14 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-20070270440-A1 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists HRH4, HRH3, HRH2 HDAC3 773/4885HDAC11 1507/4885HDAC8 1233/4885
US-20020183518-A1 Modulators of proteins with phosphotyrosine recognition units PTPRC, PTPN4, PTPN1 HDAC3 4222/4885HDAC11 4109/4885HDAC8 4258/4885

“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.