SCHEMBL2821855

SCHEMBL2821855

COc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.65
▸ ME2 P23368 1/20 0.64
▸ ME1 P48163 1/20 0.64
▸ ME3 Q16798 1/20 0.64
▸ MEN1 O00255 3/20 0.62
▸ MAPT P10636 3/20 0.62
▸ GFER P55789 2/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ NPC1 O15118 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL2292827 0.88 KMT2A (0.66) KMT2AME2ME1ME3MEN1
SCHEMBL2292606 0.88 KMT2A (0.66) KMT2AMEN1MAPTGFERL3MBTL1
SCHEMBL2290466 0.85 KMT2A (0.88) KMT2AMEN1MAPTGFERL3MBTL1
SCHEMBL3799031 0.84 ME2 (0.64) KMT2AME2ME1ME3MEN1
SCHEMBL2824010 0.84 MEN1 (0.72) KMT2AME2ME1ME3MEN1
SCHEMBL3794409 0.81 ME2 (0.68) KMT2AME2ME1ME3MEN1
Hydrochloric Acid SCHEMBL27433739 0.81 KMT2A (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27435595 0.81 SIGMAR1 (0.67) —
SCHEMBL2821852 0.80 GFER (0.53) KMT2AMEN1MAPTGFERL3MBTL1
SCHEMBL4375437 0.79 KMT2A (0.72) KMT2AMEN1GFERALDH1A1SMN1; SMN2

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 1354/4885ME2 3685/4885ME1 2926/4885

“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.

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