SCHEMBL972745

SCHEMBL972745

NN1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.54
KMT2A Q03164 2/20 0.49
DRD2 P14416 7/20 0.48
DRD4 P21917 6/20 0.48
TMEM97 Q5BJF2 4/20 0.48
SIGMAR1 Q99720 4/20 0.48
DRD3 P35462 4/20 0.48
HTR1A P08908 3/20 0.48
HTR2A P28223 3/20 0.48
HTR2C P28335 3/20 0.48
HTR7 P34969 3/20 0.48
PANK3 Q9H999 1/20 0.46
OGA O60502 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
SLC6A4 P31645 1/20 0.43
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL16695272 0.82 CNR2 (0.73) CNR2KMT2ADRD2DRD4TMEM97
SCHEMBL6125262 0.81 KMT2A (0.58) CNR2KMT2ADRD2DRD4TMEM97
SCHEMBL29656785 0.81 CNR2 (0.76) CNR2KMT2ADRD2DRD4TMEM97
SCHEMBL1998095 0.79 CNR2 (0.55) CNR2KMT2ADRD2DRD4TMEM97
SCHEMBL1447393 0.79 CNR2 (0.55) CNR2KMT2ADRD2DRD4TMEM97
SCHEMBL6947627 0.79 KMT2A (0.53) CNR2KMT2ADRD2DRD4TMEM97
SCHEMBL3911609 0.78 CNR2 (0.64) CNR2KMT2AALDH1A1
SCHEMBL194226 0.78 HTR3A (0.57) CNR2KMT2ASIGMAR1HTR1AHTR2A
SCHEMBL4754484 0.77 GPR119 (0.54) CNR2KMT2ADRD2DRD4TMEM97
SCHEMBL973137 0.77 CNR2 (0.54) CNR2KMT2ADRD2DRD4TMEM97

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-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1951678-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-06 EP disclosed
WO-2007046550-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 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-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 CNR2 2/4885KMT2A 3304/4885DRD2 4/4885

“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.