SCHEMBL1998214

SCHEMBL1998214

CCN1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)cc3F)c2-c2ccco2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMO Q99835 1/20 0.36
ADORA2A P29274 6/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
ADORA1 P30542 2/20 0.35
CXCR3 P49682 1/20 0.34
USP7 Q93009 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL1994785 0.93 TNIK (0.38) SMOADORA2ADRD2DRD4DRD3
SCHEMBL1998525 0.92 HTR7 (0.39) LMNASMOADORA2ADRD2DRD4
SCHEMBL2004259 0.89 HTR1A (0.35) LMNASMOADORA2ADRD2DRD4
SCHEMBL2761237 0.88 SMO (0.43) LMNASMOADORA2ADRD2DRD4
Hydrochloric Acid SCHEMBL1997589 0.87 SMO (0.42) LMNASMOADORA2ADRD2DRD4
SCHEMBL1999584 0.85 SMO (0.38) LMNASMOADORA2ADRD2DRD4
SCHEMBL1998680 0.84 HTR7 (0.39) SMOADORA2ADRD2DRD4DRD3
SCHEMBL2761281 0.84 DRD4 (0.37) LMNASMOADORA2ADRD2DRD4
SCHEMBL1998836 0.84 HTR2C (0.39) SMOADORA2AADORA1CXCR3SCN9A
SCHEMBL12569255 0.84 SMO (0.39) LMNASMODRD2DRD4DRD3

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-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
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 LMNA 3297/4885SMO 3168/4885ADORA2A 190/4885

“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.