SCHEMBL3091499

SCHEMBL3091499

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.60
SMPD1 P17405 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CNR2 P34972 7/20 0.53
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
HPGD P15428 1/20 0.44
MARS1 P56192 1/20 0.44
RPA1 P27694 1/20 0.43

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
SCHEMBL3087783 0.90 CNR1 (0.73) CNR1CNR2CYP2C9GPR55
SCHEMBL3091504 0.80 CNR1 (0.58) CNR1SMPD1MEN1KMT2AMAPT
SCHEMBL3100250 0.79 RPA1 (0.54) CNR1SMPD1MEN1KMT2AMAPT
SCHEMBL3097503 0.79 RPA1 (0.67) SMPD1MEN1KMT2AMAPTLMNA
SCHEMBL3095089 0.79 CNR1 (0.53) CNR1CNR2
SCHEMBL3092456 0.78 CNR1 (0.54) CNR1CNR2
SCHEMBL3088747 0.77 SMPD1 (0.58) CNR1SMPD1MEN1KMT2AMAPT
SCHEMBL5157539 0.75 CNR1 (1.00) CNR1MEN1KMT2AMAPTLMNA
SCHEMBL3092493 0.73 FAAH (0.53) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4613969 0.73 CNR1 (0.90) CNR1MAPTLMNACNR2CYP1A2

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 2/4885SMPD1 466/4885MEN1 1271/4885

“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.