SCHEMBL8314636

SCHEMBL8314636

CC(C)(C)CC[C@@H]1C[C@H]1c1c[nH]cn1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.30

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
SCHEMBL1707111 0.79 HRH3 (0.49) HRH3
SCHEMBL1443461 0.79 HRH3 (0.49) HRH3
SCHEMBL3631767 0.79 HRH3 (0.49) HRH3
SCHEMBL6136828 0.78 HRH3 (0.46) HRH3
SCHEMBL2262101 0.78 HRH3 (0.46) HRH3
Hydrochloric Acid SCHEMBL6705034 0.77 HRH3 (0.45) HRH3
Hydrochloric Acid SCHEMBL6782159 0.77 HRH3 (0.45) HRH3
SCHEMBL6137258 0.75
SCHEMBL18998463 0.73
SCHEMBL8397477 0.73

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-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2004066960-A2 COMBINATION OF H1, H3 AND H4 RECEPTOR ANTAGONISTS FOR TREATMENT OF ALLERGIC AND NON-ALLERGIC PULMONARY INFLAMMATION, CONGESTION AND ALLERGIC RHINITIS SCHERING CORPORATION (US) 2004-08-12 WO 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA HRH3 586/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 HRH3 527/4885

“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.