SCHEMBL2885133

SCHEMBL2885133

O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CCCC(N2CCCCC2)C1

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.89
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
MGLL Q99685 1/20 0.51

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
SCHEMBL2884990 0.99 HRH3 (0.91) HRH3HDAC1HDAC6MEN1ALDH1A1
SCHEMBL2884617 0.94 HRH3 (1.00) HRH3HDAC1HDAC6MGLL
SCHEMBL2883533 0.94 HRH3 (1.00) HRH3HDAC1HDAC6MGLL
SCHEMBL2884419 0.87 HRH3 (0.70) HRH3HDAC1HDAC6MEN1ALDH1A1
SCHEMBL2884190 0.86 HRH3 (0.84) HRH3HDAC1HDAC6MGLL
SCHEMBL2884787 0.84 HRH3 (0.75) HRH3HDAC1HDAC6MGLL
SCHEMBL2885521 0.84 HRH3 (0.75) HRH3HDAC1HDAC6MGLL
SCHEMBL2885914 0.84 HRH3 (0.75) HRH3HDAC1HDAC6MGLL
Hydrochloric Acid SCHEMBL2886522 0.83 HRH3 (0.74) HRH3HDAC1HDAC6MGLL
Hydrochloric Acid SCHEMBL2883590 0.83 HRH3 (0.74) HRH3HDAC1HDAC6MGLL

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 4 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
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 HRH3 3/4885HDAC1 701/4885HDAC6 586/4885

“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.