SCHEMBL1620747

SCHEMBL1620747

CC(SCCC(=O)Nc1ccc(C(F)(F)F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
SYK P43405 1/20 0.42
NR3C1 P04150 1/20 0.42
GPR119 Q8TDV5 8/20 0.42
WNT3A P56704 1/20 0.42
MAPT P10636 1/20 0.41
NPY5R Q15761 1/20 0.41
MMP13 P45452 1/20 0.41
RORC P51449 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 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
SCHEMBL4013211 0.86 EPHX2 (0.49) EPHX2SYKNR3C1GPR119WNT3A
SCHEMBL4013212 0.79 EPHX2 (0.49) EPHX2SYKNR3C1GPR119WNT3A
SCHEMBL1620749 0.77 EPHX2 (0.47) EPHX2SYKNR3C1GPR119WNT3A
SCHEMBL29716515 0.77 SYK (0.62) EPHX2SYKGPR119MAPTNPY5R
SCHEMBL381341 0.77 SYK (0.62) EPHX2SYKGPR119MAPTNPY5R
SCHEMBL1620745 0.76 EPHX2 (0.46) EPHX2SYKNR3C1GPR119WNT3A
SCHEMBL5471664 0.73 GPR119 (0.49) SYKNR3C1GPR119MAPTHPGD
SCHEMBL16422638 0.72 NPY5R (0.53) EPHX2MAPTNPY5R
SCHEMBL16238694 0.72 NPY5R (0.53) EPHX2MAPTNPY5R
SCHEMBL14155677 0.72 MAPT (0.48) EPHX2SYKGPR119MAPTNPY5R

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-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US disclosed
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO 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-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain CNR2, CNR1, OPRL1 EPHX2 745/4885SYK 1548/4885NR3C1 294/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EPHX2 969/4885SYK 2368/4885NR3C1 347/4885

“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.