SCHEMBL2886774

SCHEMBL2886774

Cc1nc2ccccc2n1Cc1ccc(C(=O)NCCN2CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
OPRK1 P41145 6/20 0.56
TP53 P04637 3/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 2/20 0.56
OPRM1 P35372 2/20 0.56
OPRD1 P41143 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
RAB9A P51151 1/20 0.56
HRH3 Q9Y5N1 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PTAFR P25105 1/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL14000450 0.80 HDAC1 (0.81) HDAC1HDAC6RAB9AHRH3PTAFR
SCHEMBL12850475 0.80 HDAC1 (1.00) HDAC1HDAC6RAB9APTAFRTNF
SCHEMBL9302136 0.79 HDAC1 (0.72) HDAC1HDAC6TP53TSHRMAPT
SCHEMBL2884509 0.79 HDAC1 (0.65) HDAC1HDAC6TP53MAPTHRH3
SCHEMBL1330642 0.79 HDAC1 (0.65) HDAC1HDAC6TP53MAPTRAB9A
SCHEMBL15643353 0.77 KCNH2 (0.73) HDAC1HDAC6OPRK1TP53TSHR
SCHEMBL15643302 0.76 KCNH2 (0.72) HDAC1HDAC6OPRK1TP53TSHR
SCHEMBL1331422 0.76 HDAC1 (0.74) HDAC1HDAC6MAPTKDM4EUSP2
SCHEMBL11485440 0.76 SSTR5 (0.70) OPRK1TP53OPRM1OPRD1MAPT
SCHEMBL3668391 0.76 HDAC1 (0.73) HDAC1HDAC6TP53MAPTRAB9A

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 6 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 claimed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP claimed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO claimed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US claimed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 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 (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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 HDAC1 701/4885HDAC6 586/4885OPRK1 108/4885

“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.