SCHEMBL5068216

SCHEMBL5068216

O=C(NNC1CC1)c1ccc2cccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CHRNB2 P17787 4/20 0.50
CHRNB4 P30926 4/20 0.50
CHRNA3 P32297 4/20 0.50
CHRNA4 P43681 4/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 2/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
BCAT2 O15382 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
PRMT5 O14744 1/20 0.43
HDAC7 Q8WUI4 1/20 0.42
MAPK8 P45983 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
SCHEMBL27460658 0.75 HDAC7 (0.67) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27592177 0.74 BCAT2 (0.59) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12832621 0.74 CHRNB2 (0.58) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27577620 0.73 CHRNB2 (0.61) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6631304 0.73 CHRNB2 (0.89) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL9532593 0.72 GAA (0.59) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1670666 0.71 KMT2A (0.67) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6711198 0.71 GAA (0.76) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31517118 0.70 HNF4A (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL1479704 0.70 HNF4A (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2CHRNB2

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 GAA 4251/4885ALDH1A1 2966/4885MEN1 4219/4885

“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.