SCHEMBL2006339

SCHEMBL2006339

CCN1CCN(C(c2ccc(-c3ccc(F)cc3)c(C)c2)c2cn[nH]c2-c2ccco2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 6/20 0.37
GAA P10253 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ACHE P22303 2/20 0.35
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
MCL1 Q07820 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL2001550 0.92 MAPT (0.37) LMNAMAPTGAAHRH3ALDH1A1
SCHEMBL2001837 0.91 LMNA (0.43) LMNAMAPTGAAHRH3ALDH1A1
SCHEMBL2761238 0.90 LMNA (0.51) LMNAMAPTGAAHRH3ALDH1A1
Hydrochloric Acid SCHEMBL1997591 0.89 LMNA (0.50) LMNAMAPTGAAHRH3ALDH1A1
SCHEMBL1999587 0.86 LMNA (0.44) LMNAMAPTGAAHRH3ALDH1A1
SCHEMBL1998528 0.85 LMNA (0.42) LMNAMAPTGAAHRH3ALDH1A1
SCHEMBL2000118 0.85 KCNH2 (0.33) LMNAMAPTGAAALDH1A1PDE3B
SCHEMBL5745204 0.84 LMNA (0.36) LMNAMAPTGAAHRH3ALDH1A1
SCHEMBL1998216 0.83 LMNA (0.42) LMNAMAPTGAAHRH3ALDH1A1
SCHEMBL2000031 0.82 MAPT (0.35) LMNAMAPTGAAHRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960413-B2 Pyrazole compounds MERCK PATENT GMBH (DE) 2011-06-14 US disclosed
US-20060276650-A1 Pyrazole compounds MERCK PATENT GMBH (DE) 2006-12-07 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-20060276650-A1 Pyrazole compounds HTR1D, HTR1A, HTR3A LMNA 3297/4885MAPT 2121/4885GAA 4616/4885

“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.