SCHEMBL1999559

SCHEMBL1999559

CCN1CCN(Cc2c(C)nn(-c3ccc(-c4ccc(F)cc4)cc3)c2C)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.65
RECQL P46063 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.49
AR P10275 2/20 0.49
SLC34A1 Q06495 2/20 0.47
CYP1A2 P05177 2/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
KHK P50053 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2001193 0.90 SMO (0.65) SMORECQLMEN1KMT2ALMNA
SCHEMBL1999531 0.80 RECQL (0.55) SMORECQLMEN1KMT2ALMNA
SCHEMBL1998311 0.78 SMO (0.60) SMOKMT2ALMNADRD2DRD4
SCHEMBL2003468 0.77 AR (0.48) SMOMEN1KMT2ALMNAAR
SCHEMBL9961631 0.76 SMO (0.59) SMORECQLMEN1KMT2ALMNA
SCHEMBL9961731 0.76 SMO (0.57) SMORECQLMEN1KMT2ALMNA
SCHEMBL5206995 0.75 SMO (0.58) SMORECQLMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3321149 0.75 SMO (0.58) SMORECQLMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3327835 0.75 SMO (0.56) SMORECQLMEN1KMT2ALMNA
SCHEMBL9961699 0.74 SMO (0.57) SMORECQLMEN1KMT2ALMNA

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 3168/4885RECQL 811/4885MEN1 2070/4885

“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.