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SCHEMBL3384878

SCHEMBL3384878

COCCCn1c(=NC(=O)C2C(C)(C)C2(C)C)sc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.55
▸ CNR1 P21554 8/20 0.55
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL3384875 1.00 CNR2 (0.55) CNR2CNR1ALDH1A1TSHRKMT2A
SCHEMBL3384497 0.93 CNR1 (0.63) CNR2CNR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3384499 0.93 CNR1 (0.63) CNR2CNR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL964313 0.79 CNR2 (0.78) CNR2CNR1ALDH1A1TSHRKMT2A
SCHEMBL964314 0.79 CNR2 (0.78) CNR2CNR1ALDH1A1TSHRKMT2A
SCHEMBL3386154 0.79 NPSR1 (0.64) CNR2CNR1ALDH1A1TSHRKMT2A
SCHEMBL3386158 0.79 NPSR1 (0.64) CNR2CNR1ALDH1A1TSHRKMT2A
SCHEMBL5127454 0.79 NPSR1 (0.64) CNR2CNR1ALDH1A1TSHRKMT2A
SCHEMBL3384536 0.77 ALDH1A1 (0.49) CNR2CNR1ALDH1A1TSHRKMT2A
SCHEMBL3384541 0.77 ALDH1A1 (0.49) CNR2CNR1ALDH1A1TSHRKMT2A

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 4 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
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.