SCHEMBL8005017

SCHEMBL8005017

Cc1ccc2c(c1)CCC(=O)N2CCF

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.49
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
SRD5A1 P18405 4/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.41
NOTUM Q6P988 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 4/20 0.40
CHRM1 P11229 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 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
SCHEMBL5539818 0.86 ATAD2 (0.54) ATAD2GRIN1GRIN2BSRD5A1ALDH1A1
SCHEMBL5544599 0.84 DRD2 (0.58) ATAD2GRIN1GRIN2BSRD5A1ALDH1A1
SCHEMBL435242 0.83 ATAD2 (0.69) ATAD2GRIN1GRIN2BSRD5A1ALDH1A1
SCHEMBL4100824 0.82 GRIN1 (0.49) ATAD2GRIN1GRIN2BSRD5A1ALDH1A1
SCHEMBL5542111 0.82 DRD2 (0.53) ATAD2GRIN1GRIN2BSRD5A1ALDH1A1
SCHEMBL1763836 0.81 GRIN1 (0.51) ATAD2GRIN1GRIN2BSRD5A1ALDH1A1
SCHEMBL5537272 0.81 DRD2 (0.52) ATAD2GRIN1GRIN2BSRD5A1ALDH1A1
SCHEMBL436376 0.78 ATAD2 (0.48) ATAD2GRIN1GRIN2BSRD5A1ALDH1A1
SCHEMBL14564427 0.78 TSHR (0.56) ATAD2ALDH1A1POLBLMNATP53
SCHEMBL27619331 0.77 DRD2 (0.51) GRIN1GRIN2BDRD2DRD4DRD3

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
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 ATAD2 1734/4885GRIN1 1697/4885GRIN2B 1341/4885

“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.