SCHEMBL2820899

SCHEMBL2820899

O=C(CCc1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
MAPT P10636 4/20 0.74
MEN1 O00255 3/20 0.74
ME2 P23368 1/20 0.68
ME1 P48163 1/20 0.68
ME3 Q16798 1/20 0.68
GRIN1 Q05586 1/20 0.67
GRIN2B Q13224 1/20 0.67
GFER P55789 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.65
HTT P42858 3/20 0.65
LMNA P02545 1/20 0.65
RECQL P46063 1/20 0.65
ALDH1A1 P00352 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
RAB9A P51151 1/20 0.58
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 1/20 0.57

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
SCHEMBL3801862 0.93 MAPT (0.64) KMT2AMAPTMEN1ME2ME1
SCHEMBL3794636 0.87 CACNA1G (0.67) KMT2AMAPTMEN1ME2ME1
SCHEMBL3800973 0.86 KMT2A (0.65) KMT2AMAPTMEN1ME2ME1
SCHEMBL8091444 0.86 MEN1 (0.80) KMT2AMAPTMEN1ME2ME1
SCHEMBL3796071 0.85 MAPT (0.80) KMT2AMAPTMEN1ME2ME1
SCHEMBL2824683 0.85 MAPT (1.00) KMT2AMAPTMEN1ME2ME1
SCHEMBL12575485 0.84 GRIN1 (0.77) KMT2AMAPTMEN1ME2ME1
SCHEMBL3799394 0.82 GFER (0.74) KMT2AMAPTMEN1ME2ME1
SCHEMBL3794409 0.82 ME2 (0.68) KMT2AMAPTMEN1ME2ME1
SCHEMBL23086161 0.81 MAPT (0.70) KMT2AMAPTMEN1ME2ME1

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
US-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO. LTD. (KR) 2010-06-24 US disclosed
EP-2155736-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-24 EP disclosed
WO-2008140198-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 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-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, OPRD1, OPRL1 KMT2A 1354/4885MAPT 3315/4885MEN1 4789/4885

“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.