SCHEMBL3105845

SCHEMBL3105845

O=C(c1nn(-c2ccc(Cl)cc2Cl)c(C2=CC=C(Br)[SeH2]2)c1Br)N1CCc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.49
CNR2 P34972 2/20 0.45
SPR P35270 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3105839 0.83 CNR1 (0.49) CNR1CNR2SPRTAS1R3TAS1R1
SCHEMBL3094652 0.80 CNR2 (0.46) CNR1CNR2ALDH1A1LMNA
SCHEMBL3100334 0.79 CNR1 (0.46) CNR1CNR2
SCHEMBL3103578 0.78 CNR1 (0.62) CNR1CNR2
SCHEMBL3098223 0.77 CNR1 (0.44) CNR1CNR2
SCHEMBL3093507 0.76 CNR1 (0.46) CNR1CNR2
SCHEMBL3100195 0.75 TAS1R3 (0.49) CNR1CNR2TAS1R3TAS1R1TAS1R2
SCHEMBL3096389 0.74 KDM4E (0.52) CNR1CNR2MEN1KMT2A
SCHEMBL3096108 0.74 CNR2 (0.60) CNR1CNR2
SCHEMBL3098054 0.73 CNR2 (0.61) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803799-B2 such as 1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-5-(selenophen-2-yl)-1H-pyrazole-3-carboxamide, used for treating cannabinoid-receptor mediated disorders selected from obesity, metabolic syndrome, drug abuse and dependence or neuropathic pain NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-09-28 US disclosed
US-20080021031-A1 SELENOPHENE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTE (TW) 2008-01-24 US 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-20080021031-A1 SELENOPHENE COMPOUNDS CNR2, CNR1, SELENOI CNR1 2/4885CNR2 1/4885SPR 1602/4885

“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.