SCHEMBL2878939

SCHEMBL2878939

O=C(c1ccc(Cn2c3ccccc3c3ccccc32)cc1)[N+]1([C@H]2CCNC2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.46
▸ HDAC1 Q13547 5/20 0.46
▸ HDAC10 Q969S8 3/20 0.46
▸ HDAC3 O15379 3/20 0.44
▸ CNR2 P34972 2/20 0.41
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ HDAC2 Q92769 4/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL1812812 0.84 SLC6A2 (0.35) PTPN1
SCHEMBL4792261 0.82 HRH3 (0.52) CNR2
SCHEMBL2887550 0.81 SLC6A4 (0.42) HDAC6HDAC1HDAC8
SCHEMBL4792573 0.77 CNR2 (0.43) HDAC1CNR2
SCHEMBL4792135 0.76 HDAC6 (0.40) HDAC6CNR2F2
SCHEMBL3844239 0.75 NPC1 (0.36) —
SCHEMBL4793844 0.73 HRH3 (0.39) HDAC6HDAC1HDAC10HDAC3HDAC2
SCHEMBL4762113 0.73 CDK9 (0.43) —
SCHEMBL4791558 0.73 HRH3 (0.37) HDAC6HDAC1
SCHEMBL12938904 0.67 HDAC6 (0.69) HDAC6HDAC1HDAC10HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 — — EP 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

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 HDAC6 586/4885HDAC1 701/4885HDAC10 336/4885

“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.

Send feedback