SCHEMBL5067725

SCHEMBL5067725

O=C(NN1CCCC1)c1ccc2cccccc1-2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
TSHR P16473 1/20 0.54
RECQL P46063 1/20 0.54
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.50
CNR1 P21554 5/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
CNR2 P34972 4/20 0.47

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
SCHEMBL2187506 0.98 HTT (0.59) HTTTSHRRECQLLMNAPOLB
SCHEMBL17729939 0.94 HTT (0.61) HTTTSHRRECQLLMNAPOLB
SCHEMBL5065614 0.87 LMNA (0.55) LMNAPOLBGAAALDH1A1MEN1
SCHEMBL27684818 0.82 CHRNB2 (0.50) HTTTSHRRECQLLMNAPOLB
SCHEMBL6553709 0.77 HTT (0.64) HTTLMNAPOLBGAACNR1
SCHEMBL1672799 0.76 TSHR (0.55) TSHRRECQLLMNAPOLBALDH1A1
SCHEMBL4428306 0.76 LMNA (0.72) HTTLMNAPOLBGAACNR1
SCHEMBL27460658 0.74 HDAC7 (0.67) HTTLMNAGAAALDH1A1MEN1
SCHEMBL2399935 0.74 HTT (0.96) HTTTSHRLMNAPOLBGAA
N-Piperidinobenzamide SCHEMBL696161 0.73 HTT (1.00) HTTTSHRLMNAPOLBGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051386-A1 Tricyclic Pyrazole Derivatives as Cannabinoid Receptor Modulators CADILA HEALTHCARE LIMITED (IN) 2008-02-28 US claimed
EP-1781668-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LTD. (IN) 2007-05-09 EP claimed
WO-2006025069-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2006-03-09 WO claimed
US-20080051386-A1 Tricyclic Pyrazole Derivatives as Cannabinoid Receptor Modulators CADILA HEALTHCARE LIMITED (IN) 2008-02-28 US disclosed
EP-1781668-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LTD. (IN) 2007-05-09 EP disclosed
WO-2006025069-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2006-03-09 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-20080051386-A1 Tricyclic Pyrazole Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, GPR55 HTT 4059/4885TSHR 713/4885RECQL 4673/4885

“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.