SCHEMBL5065614

SCHEMBL5065614

O=C(NN1CCOCC1)c1ccc2cccccc1-2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.53
KDM4E B2RXH2 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.48
CYP2D6 P10635 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5067725 0.87 HTT (0.57) LMNAPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL2187506 0.85 HTT (0.59) LMNAPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL17729939 0.81 HTT (0.61) LMNAPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL27684818 0.78 CHRNB2 (0.50) LMNAPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL3955220 0.77 SMN1; SMN2 (0.71) LMNAPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4224936 0.75 SMN1; SMN2 (0.46) LMNAPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6367774 0.75 SMN1; SMN2 (0.51) LMNAPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11126939 0.74 SMN1; SMN2 (0.50) LMNAPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3223229 0.73 SMN1; SMN2 (0.54) LMNAPOLBSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL3996738 0.73 TSHR (0.73) LMNASMN1; SMN2CYP3A4CYP2C9ALDH1A1

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 LMNA 4462/4885POLB 4356/4885KDM4E 3333/4885

“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.