SCHEMBL1999587

SCHEMBL1999587

CCN1CCN(C(c2cc(F)c(-c3ccc(F)cc3)c(F)c2)c2cn[nH]c2-c2ccco2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 8/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
ESR2 Q92731 1/20 0.35
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
MAPK1 P28482 1/20 0.33
MCL1 Q07820 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
SCHEMBL1995722 0.91 MAPT (0.35) LMNAGAAHRH3MAPTPOLB
SCHEMBL2761238 0.91 LMNA (0.51) LMNAGAAHRH3MAPTPOLB
Hydrochloric Acid SCHEMBL1997591 0.90 LMNA (0.50) LMNAGAAHRH3MAPTPOLB
SCHEMBL1998216 0.88 LMNA (0.42) LMNAGAAHRH3MAPTPOLB
SCHEMBL2006339 0.86 LMNA (0.44) LMNAGAAHRH3MAPTPOLB
SCHEMBL2001837 0.85 LMNA (0.43) LMNAGAAHRH3MAPTPOLB
SCHEMBL1998528 0.85 LMNA (0.42) LMNAGAAHRH3MAPTPOLB
SCHEMBL2761282 0.84 LMNA (0.42) LMNAGAAHRH3MAPTPOLB
SCHEMBL2003026 0.82 GSK3B (0.33) LMNAGAAMAPTALDH1A1
SCHEMBL5745204 0.81 LMNA (0.36) LMNAGAAHRH3MAPTPOLB

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 3297/4885GAA 4616/4885HRH3 111/4885

“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.