SCHEMBL7245212

SCHEMBL7245212

CCC[C@@H](NC(=O)O)C(=O)N1CCN([C@H](C)CCOc2ccc(C(=O)C3CC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 19/20 0.54
HRH1 P35367 19/20 0.54
HRH3 Q9Y5N1 2/20 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
SCHEMBL7250665 1.00 HRH2 (0.54) HRH2HRH1HRH3
SCHEMBL7252080 0.94 HRH2 (0.52) HRH2HRH1HRH3
SCHEMBL7252070 0.94 HRH2 (0.52) HRH2HRH1HRH3
SCHEMBL7247088 0.89 HRH2 (0.59) HRH2HRH1HRH3
SCHEMBL7245540 0.89 HRH2 (0.59) HRH2HRH1HRH3
SCHEMBL7246172 0.85 HRH2 (0.74) HRH2HRH1HRH3
SCHEMBL7250277 0.83 HRH2 (0.72) HRH2HRH1HRH3
SCHEMBL7243633 0.82 HRH2 (0.72) HRH2HRH1HRH3
SCHEMBL7245313 0.79 HRH2 (0.70) HRH2HRH1HRH3
SCHEMBL7251251 0.79 HRH2 (0.72) HRH2HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100549-A1 Inhibitors of c-Jun N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED 2003-05-29 US disclosed
US-6559140-B2 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBOTT LABORATORIES 2003-05-06 US disclosed
US-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBVIE INC. 2001-12-06 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-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists HRH4, HRH2, HRH3 HRH2 2/4885HRH1 4/4885HRH3 3/4885
US-20030100549-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 HRH2 3358/4885HRH1 3790/4885HRH3 4135/4885

“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.