SCHEMBL1998311

SCHEMBL1998311

CCN1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)cc3)c2C)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 7/20 0.60
DRD4 P21917 4/20 0.56
DRD2 P14416 3/20 0.56
DRD3 P35462 3/20 0.56
MAPT P10636 3/20 0.45
ADRA1A P35348 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
P2RX7 Q99572 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL1997979 0.90 SMO (0.60) SMODRD4DRD2DRD3MAPT
SCHEMBL10360539 0.86 SMO (0.64) SMODRD4DRD2DRD3MAPT
SCHEMBL5228465 0.83 SMO (0.46) SMODRD4DRD2DRD3MAPT
SCHEMBL5224916 0.83 SMO (0.44) SMODRD4DRD2DRD3MAPT
SCHEMBL3322562 0.81 SMO (0.58) SMODRD4DRD2DRD3MAPT
SCHEMBL2001554 0.80 SMO (0.50) SMODRD4DRD2DRD3ADRA1A
SCHEMBL5223624 0.80 SMO (0.41) SMODRD4DRD2DRD3MAPT
SCHEMBL2761237 0.79 SMO (0.43) SMODRD4DRD2DRD3MAPT
SCHEMBL9961694 0.78 SMO (0.58) SMODRD4DRD2DRD3MAPT
SCHEMBL9961704 0.78 SMO (0.58) SMODRD4DRD2DRD3MAPT

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-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

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 SMO 3168/4885DRD4 119/4885DRD2 59/4885

“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.