SCHEMBL4084861

SCHEMBL4084861

O=C(NCc1ccc2c(c1)OCO2)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 3/20 0.52
GAA P10253 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
HTT P42858 2/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 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
SCHEMBL4085189 0.86 RYR2 (0.46) TSHRALDH1A1HPGDKMT2APOLB
SCHEMBL4084898 0.81 POLB (0.45) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL4083294 0.81 KMT2A (0.48) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL4075591 0.80 LMNA (0.51) ALDH1A1TDP1KDM4EMAPTLMNA
SCHEMBL4085306 0.80 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL4079251 0.79 EPHX2 (0.59) CYP2C9CYP2C19
SCHEMBL4085298 0.78 NPC1 (0.44) TSHRKMT2APOLBTDP1
SCHEMBL29574831 0.78 NPC1 (0.44) TSHRKMT2APOLBTDP1
SCHEMBL4079557 0.78 THRB (0.43) HPGDCYP2C19
SCHEMBL4075656 0.76 KMT2A (0.47) ALDH1A1HPGDMEN1KMT2APOLB

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 TSHR 368/4885ALDH1A1 1099/4885HPGD 1867/4885

“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.