SCHEMBL1997979

SCHEMBL1997979

Cc1c(CN2CCN(C)CC2)cnn1-c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.60
DRD4 P21917 5/20 0.56
DRD3 P35462 4/20 0.56
DRD2 P14416 3/20 0.56
MAPT P10636 3/20 0.45
ADRA1A P35348 1/20 0.42
TNIK Q9UKE5 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.42
P2RX7 Q99572 1/20 0.41
MPO P05164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CHKA P35790 1/20 0.40
MAPK14 Q16539 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL10360539 0.96 SMO (0.64) SMODRD4DRD3DRD2MAPT
SCHEMBL1998311 0.90 SMO (0.60) SMODRD4DRD3DRD2MAPT
SCHEMBL10226104 0.85 SMO (0.63) SMODRD4DRD3DRD2ADRA1A
SCHEMBL5229173 0.83 DRD4 (0.47) SMODRD4DRD3DRD2MAPT
SCHEMBL2503327 0.83 DRD4 (0.60) SMODRD4DRD3DRD2MAPT
SCHEMBL5227096 0.83 SMO (0.44) SMODRD4DRD3DRD2MAPT
SCHEMBL5228124 0.82 SMO (0.43) SMODRD4DRD3DRD2MAPT
SCHEMBL11955379 0.82 SMO (0.59) SMODRD4DRD3DRD2LMNA
SCHEMBL5228219 0.82 SMO (0.47) SMODRD4DRD3DRD2MAPT
SCHEMBL3322562 0.81 SMO (0.58) SMODRD4DRD3DRD2MAPT

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 SMO 3168/4885DRD4 119/4885DRD3 46/4885

“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.