SCHEMBL3875552

SCHEMBL3875552

CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.67
HDAC3 O15379 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
TRPV1 Q8NER1 6/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
EPHX2 P34913 1/20 0.63
NR1H4 Q96RI1 3/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TP53 P04637 1/20 0.57

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
SCHEMBL9695815 1.00 MLYCD (0.67) MLYCDHDAC3HDAC11HDAC8HDAC6
SCHEMBL5697460 0.93 NPC1 (0.61) MLYCDHDAC3HDAC11HDAC8HDAC6
SCHEMBL9337665 0.88 MLYCD (0.76) MLYCDNPC1RAB9AMEN1KMT2A
SCHEMBL6263516 0.88 MLYCD (0.76) MLYCDNPC1RAB9AMEN1KMT2A
SCHEMBL22103804 0.87 MAPT (0.63) MLYCDTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL7303163 0.87 HDAC3 (0.86) HDAC3HDAC11HDAC8HDAC6TRPV1
SCHEMBL7514354 0.84 MLYCD (0.76) MLYCDHDAC3HDAC8HDAC6TRPV1
SCHEMBL1638233 0.84 NPC1 (0.73) MLYCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11059466 0.84 NPC1 (0.73) MLYCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9695767 0.83 HDAC3 (0.65) HDAC3HDAC11HDAC8HDAC6TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7595332-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) ABBOTT LABORATORIES (US) 2009-09-29 US disclosed
US-20090163549-A1 Pharmaceutical Composition Comprising an Amide Derivative SHIONOGI & CO., LTD. (JP) 2009-06-25 US disclosed
US-20090163549-A1 Pharmaceutical Composition Comprising an Amide Derivative SHIONOGI & CO., LTD. (JP) 2009-06-25 US disclosed
US-20090163549-A1 Pharmaceutical Composition Comprising an Amide Derivative SHIONOGI & CO., LTD. (JP) 2009-06-25 US disclosed
EP-1959944-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN AMIDE DERIVATIVE Shionogi Co., Ltd. (JP) 2008-08-27 EP disclosed
WO-2007069773-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN AMIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-06-21 WO disclosed
WO-2007069773-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN AMIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-06-21 WO disclosed
US-20060122231-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) ABBVIE INC. 2006-06-08 US disclosed
US-7037927-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-05-02 US disclosed
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-04-21 US disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 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 (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-20060122231-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) TRPV1, OPRL1, AVPR2 MLYCD 4451/4885HDAC3 1833/4885HDAC11 935/4885
US-20090163549-A1 Pharmaceutical Composition Comprising an Amide Derivative TRPV1, TRPA1, TRPV2 MLYCD 3945/4885HDAC3 344/4885HDAC11 665/4885
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, AVPR1A MLYCD 4260/4885HDAC3 1725/4885HDAC11 984/4885

“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.