SCHEMBL3091504

SCHEMBL3091504

O=C(NN1CCOCC1)c1cc(C2=CC=C[SeH2]2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.58
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
CNR2 P34972 7/20 0.51
SMPD1 P17405 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
HPGD P15428 1/20 0.43
RPA1 P27694 1/20 0.42

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
SCHEMBL3087784 0.91 CNR1 (0.71) CNR1CNR2CYP2C9GPR55
SCHEMBL3091499 0.80 CNR1 (0.60) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3095097 0.80 CNR1 (0.50) CNR1CNR2
SCHEMBL3092463 0.79 CNR1 (0.51) CNR1CNR2
SCHEMBL3088748 0.78 MEN1 (0.56) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5157539 0.74 CNR1 (1.00) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3100222 0.72 CNR1 (0.72) CNR1MAPTLMNACNR2CYP1A2
SCHEMBL4613969 0.71 CNR1 (0.90) CNR1MAPTLMNACNR2CYP1A2
SCHEMBL5154664 0.71 CNR1 (0.88) CNR1CNR2CYP2C9GPR55RPA1
SCHEMBL3087783 0.70 CNR1 (0.73) CNR1CNR2CYP2C9GPR55

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 2/4885MEN1 1271/4885KMT2A 1718/4885

“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.