SCHEMBL8079289

SCHEMBL8079289

COC(=O)c1ccc(CC(=O)Nc2ccccc2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
HDAC3 O15379 11/20 0.56
HDAC1 Q13547 11/20 0.56
HDAC2 Q92769 9/20 0.56
HDAC4 P56524 6/20 0.56
HDAC7 Q8WUI4 6/20 0.56
HDAC10 Q969S8 6/20 0.56
HDAC11 Q96DB2 6/20 0.56
HDAC8 Q9BY41 6/20 0.56
HDAC6 Q9UBN7 6/20 0.56
HDAC9 Q9UKV0 6/20 0.56
HDAC5 Q9UQL6 6/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
GLS O94925 1/20 0.50
MAPK8 P45983 1/20 0.50

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
SCHEMBL3819531 0.84 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL20085783 0.84 LNPEP (0.64) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL3819539 0.82 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL8609928 0.82 HPGD (0.65) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4451264 0.81 HDAC4 (0.61) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL2411022 0.81 HDAC1 (0.75) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL4895996 0.80 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5595867 0.79 HDAC1 (0.67) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL211247 0.79 MEN1 (0.54) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL10669906 0.79 KCNQ2 (0.75) NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 NPC1 1234/4885RAB9A 1396/4885HDAC3 1206/4885
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 NPC1 1221/4885RAB9A 1006/4885HDAC3 860/4885

“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.