SCHEMBL3382508

SCHEMBL3382508

CCC(=O)OC1(C(=O)O)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
FFAR3 O14843 2/20 0.35
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD3 P35462 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL11139439 0.84 CYP19A1 (0.32) CYP2C19OPRM1OPRD1OPRK1LMNA
SCHEMBL28425488 0.82 CYP19A1 (0.34) OPRM1OPRD1OPRK1LMNACYP19A1
SCHEMBL25946790 0.80 CYP2C19 (0.36) CYP2C19LMNATSHRUSP2ALDH1A1
SCHEMBL22941762 0.80 CYP2C19 (0.36) CYP2C19LMNATSHRUSP2ALDH1A1
SCHEMBL25946795 0.78 CYP2C19 (0.33) CYP2C19TSHRALDH1A1
SCHEMBL22279235 0.78 CYP2C19 (0.33) CYP2C19
SCHEMBL119668 0.75 CYP19A1 (0.51) CYP2C19FFAR3OPRM1OPRD1OPRK1
SCHEMBL4655557 0.75 CYP2C19 (0.39) CYP2C19FFAR3LMNATSHRMEN1
SCHEMBL27465776 0.75 SMN1; SMN2 (0.38) CYP2C19FFAR3OPRM1OPRD1OPRK1
SCHEMBL9912807 0.75 CYP19A1 (0.51) CYP2C19FFAR3OPRM1OPRD1OPRK1

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 7 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
CN-102442970-A Thiazole compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB 2012-05-09 CN disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
CN-101454302-A Thiazole compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB (US) 2009-06-10 CN 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 CYP2C19 264/4885FFAR3 60/4885OPRM1 32/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CYP2C19 276/4885FFAR3 66/4885OPRM1 21/4885

“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.