SCHEMBL1574522

SCHEMBL1574522

CCCN(CCC)C1CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.45
S1PR2 O95136 3/20 0.44
MAPT P10636 1/20 0.43
UBE2M P61081 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ACP1 P24666 1/20 0.40
CXCR3 P49682 1/20 0.40
PAK1 Q13153 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 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
SCHEMBL1575317 0.90 GRIN2B (0.46) GRIN2BS1PR2MAPTLMNAALDH1A1
SCHEMBL1575048 0.89 GRIN2B (0.46) GRIN2BS1PR2MAPTLMNAACP1
SCHEMBL1574907 0.88 GRIN2B (0.57) GRIN2BMAPTUBE2MDCUN1D1LMNA
SCHEMBL1574842 0.85 S1PR2 (0.41) GRIN2BS1PR2UBE2MDCUN1D1LMNA
SCHEMBL1575193 0.84 ALDH1A1 (0.47) GRIN2BS1PR2MAPTUBE2MDCUN1D1
SCHEMBL1575134 0.83 MAPT (0.46) MAPTUBE2MDCUN1D1LMNA
SCHEMBL1574527 0.83 GRIN2B (0.49) GRIN2BUBE2MDCUN1D1LMNATRPA1
SCHEMBL1575005 0.83 GRIN2B (0.49) GRIN2BS1PR2MAPTLMNAPAK1
SCHEMBL1575579 0.82 NPSR1 (0.51) GRIN2BMAPTLMNAALDH1A1
SCHEMBL1575081 0.80 GRIN2B (0.50) GRIN2BMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308562-A2 Azetidine ring compounds and drugs comprising the same Ono Pharmaceutical Co., Ltd. (JP) 2011-04-13 EP disclosed
US-7511159-B2 Azetidine ring compounds and drugs comprising the same ONO PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-20070135402-A1 Azetidine ring compounds and drugs comprising the same ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 US disclosed
EP-1698375-A1 AZETIDINE RING COMPOUNDS AND DRUGS COMPRISING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070135402-A1 Azetidine ring compounds and drugs comprising the same EDNRA, LIPG, EDNRB GRIN2B 3001/4885S1PR2 937/4885MAPT 3908/4885

“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.