SCHEMBL4085189

SCHEMBL4085189

O=C(NCc1ccc2c(c1)CCO2)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.46
RAB9A P51151 2/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 3/20 0.40
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CHRNA7 P36544 1/20 0.39
FAAH O00519 2/20 0.39
GAA P10253 1/20 0.38
P2RX3 P56373 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL29574831 0.92 NPC1 (0.44) RYR2RAB9APOLBNPC1KMT2A
SCHEMBL4085298 0.92 NPC1 (0.44) RYR2RAB9APOLBNPC1KMT2A
SCHEMBL4084861 0.86 TSHR (0.53) POLBMAPTKMT2ATDP1ALDH1A1
SCHEMBL24454984 0.84 RYR2 (0.38) RYR2RAB9APOLBNPC1MAPT
SCHEMBL4083294 0.79 KMT2A (0.48) RAB9APOLBNPC1KMT2ATDP1
SCHEMBL4084898 0.79 POLB (0.45) RAB9APOLBNPC1KMT2ATDP1
SCHEMBL4075591 0.78 LMNA (0.51) MAPTTDP1ALDH1A1CHRNA7FAAH
SCHEMBL4085306 0.77 ALDH1A1 (0.49) RAB9APOLBNPC1MAPTKMT2A
SCHEMBL4079557 0.75 THRB (0.43) NPC1HPGDFAAH
SCHEMBL4079251 0.75 EPHX2 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620395-B1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RES LTD (GB) 2009-12-30 EP disclosed
US-7504522-B2 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMITED (GB) 2009-03-17 US disclosed
US-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMAITED (GB) 2007-03-08 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 (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-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders CNR1, CNR2, GPR119 RYR2 147/4885RAB9A 259/4885POLB 4840/4885

“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.