Sugi Predict

Sugi Predict / Compounds / SCHEMBL3383564

SCHEMBL3383564

SCHEMBL3383564

COCCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)C1C(C)(C)C1(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.69
▸ CNR1 P21554 6/20 0.69
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3383567 1.00 CNR2 (0.69) CNR2CNR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3383136 0.90 CNR2 (0.66) CNR2CNR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3383143 0.90 CNR2 (0.66) CNR2CNR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL945045 0.82 CNR2 (1.00) CNR2CNR1ALDH1A1RAB9APIM1
SCHEMBL945043 0.82 CNR2 (1.00) CNR2CNR1ALDH1A1RAB9APIM1
SCHEMBL3384497 0.81 CNR1 (0.63) CNR2CNR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3384499 0.81 CNR1 (0.63) CNR2CNR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3384875 0.75 CNR2 (0.55) CNR2CNR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3384878 0.75 CNR2 (0.55) CNR2CNR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3382611 0.75 CNR2 (0.78) CNR2CNR1ALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 — — US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 — — US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 — — EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 — — US disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 — — 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 (2 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885ALDH1A1 898/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885ALDH1A1 914/4885

“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.