SCHEMBL3591897

SCHEMBL3591897

O=C(CN1CC(c2cccc(C(F)(F)F)c2)N(c2ccc(Cl)cc2)C1=O)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
CETP P11597 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 2/20 0.43
GRIN2B Q13224 4/20 0.42
GRIN1 Q05586 3/20 0.42
ELANE P08246 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3591893 1.00 GAA (0.45) GAARAB9AHTTLMNAMAPT
SCHEMBL27773390 0.91 GAA (0.39) GAARAB9AHTTLMNAMAPT
SCHEMBL27773389 0.91 GAA (0.39) GAARAB9AHTTLMNAMAPT
SCHEMBL3592676 0.87 CETP (0.43) HTTLMNAMAPTCETPKMT2A
SCHEMBL3592679 0.87 CETP (0.43) HTTLMNAMAPTCETPKMT2A
SCHEMBL3584290 0.87 HTT (0.45) GAAHTTLMNAMAPTCETP
SCHEMBL3584291 0.87 HTT (0.45) GAAHTTLMNAMAPTCETP
SCHEMBL3589599 0.86 LMNA (0.46) GAAHTTLMNAMAPTCETP
SCHEMBL3593502 0.83 LMNA (0.40) RAB9AHTTLMNAMAPTCETP
SCHEMBL3591799 0.82 CETP (0.51) HTTCETPKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GAA 1836/4885RAB9A 902/4885HTT 1829/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GAA 1836/4885RAB9A 902/4885HTT 1829/4885

“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.