SCHEMBL1998525

SCHEMBL1998525

CCN1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)cc3C)c2-c2ccco2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
SMO Q99835 2/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.35
SCN9A Q15858 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
USP7 Q93009 1/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1998680 0.93 HTR7 (0.39) HTR7SMOADORA2AADORA1USP7
SCHEMBL1998214 0.92 LMNA (0.37) SMOLMNASCN9AADORA2AADORA1
SCHEMBL2761237 0.87 SMO (0.43) SMOLMNAADORA2AADORA1DRD2
Hydrochloric Acid SCHEMBL1997589 0.86 SMO (0.42) SMOLMNAADORA2AADORA1USP7
SCHEMBL1998341 0.85 HTR7 (0.38) HTR7SMOADORA2AADORA1USP7
SCHEMBL1994785 0.84 TNIK (0.38) SMOADORA2AADORA1USP7DRD2
SCHEMBL2006337 0.84 SMO (0.40) SMOLMNAKMT2AUSP7DRD2
SCHEMBL2761281 0.83 DRD4 (0.37) SMOLMNAADORA2AADORA1USP7
SCHEMBL2003303 0.83 HTR7 (0.38) HTR7LMNAKMT2AADORA2APOLB
SCHEMBL1999584 0.83 SMO (0.38) SMOLMNAADORA2AADORA1USP7

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 5 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
EP-1611094-B1 PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-20 EP disclosed
US-20060276650-A1 Pyrazole compounds MERCK PATENT GMBH (DE) 2006-12-07 US disclosed
EP-1611094-A1 PYRAZOLE COMPOUNDS MERCK PATENT GmbH (DE) 2006-01-04 EP disclosed
WO-2004089888-A1 PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2004-10-21 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 (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 HTR7 16/4885SMO 3168/4885LMNA 3297/4885

“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.