SCHEMBL10258141

SCHEMBL10258141

CCC(F)(F)c1ccc(NC(=O)N2CCCN(C(=O)N3CCOCC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.54
CNR2 P34972 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
GAA P10253 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
CNR1 P21554 2/20 0.50
TP53 P04637 1/20 0.50
ESR2 Q92731 1/20 0.50
BLM P54132 1/20 0.50
TSHR P16473 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MITF O75030 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL10258124 0.87 AKR1C3 (0.62) MLYCDCNR2SMN1; SMN2RAB9AKMT2A
SCHEMBL10254154 0.85 CNR2 (0.71) CNR2SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL10253798 0.79 RAB9A (0.84) CNR2SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL28363944 0.78 SMN1; SMN2 (0.70) MLYCDCNR2SMN1; SMN2RAB9AKMT2A
SCHEMBL10253706 0.75 MLYCD (0.50) MLYCDCNR2SMN1; SMN2RAB9AKMT2A
SCHEMBL10253733 0.74 CNR2 (0.58) CNR2SMN1; SMN2RAB9ANPC1GAA
SCHEMBL4559682 0.73 MAPT (0.73) CNR2SMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL10253649 0.72 CNR2 (0.84) CNR2MAPTCNR1
SCHEMBL10253332 0.72 CNR2 (0.80) CNR2MAPTCNR1
SCHEMBL10253303 0.72 CNR2 (0.67) CNR2MAPTCNR1

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-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 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 (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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MLYCD 2984/4885CNR2 1/4885SMN1; SMN2 4091/4885

“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.