SCHEMBL5790113

SCHEMBL5790113

CC(C)Oc1ccc(N2CCC(Oc3cccnc3N3CCN(C)CC3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ROCK2 O75116 4/20 0.39
MCHR1 Q99705 6/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ROCK1 Q13464 1/20 0.37
CHIA Q9BZP6 1/20 0.36

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
SCHEMBL5804389 0.94 MCHR1 (0.45) ROCK2MCHR1ROCK1
SCHEMBL5846949 0.87 PDE10A (0.39) ROCK2MCHR1HDAC8HDAC6
SCHEMBL5760136 0.86 ROCK2 (0.51) LMNAMAPTROCK2MCHR1HDAC8
SCHEMBL5762721 0.86 MCHR1 (0.48) ROCK2MCHR1ROCK1
SCHEMBL5846345 0.86 EGLN1 (0.39) MAPTEGLN1ROCK2MCHR1HDAC8
SCHEMBL5762922 0.84 MCHR1 (0.47) ROCK2MCHR1CHIA
SCHEMBL5759920 0.84 TRPV1 (0.42) ROCK2MCHR1CHIA
SCHEMBL5761129 0.83 MCHR1 (0.45) MCHR1
SCHEMBL5763103 0.83 HPGD (0.43) MAPTROCK2CHIA
SCHEMBL5790448 0.83 ROCK2 (0.37) LMNAMAPTROCK2MCHR1CHIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101885-B2 1-(4-Bromo-phenyl)-3-[2-(4-methyl-piperazin-1-yl)-pyridin-3-yloxy]-pyrrolidin-2-one; antagonists of the serotonin 5HT1B receptor; treating depression PFIZER INC (US) 2006-09-05 US claimed
EP-1638932-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS Pfizer Products Inc. (US) 2006-03-29 EP claimed
US-20040266781-A1 Novel piperazinyl-aryloxy and piperazinyl-heteroaryloxy-n-aryl lactams PFIZER INC 2004-12-30 US claimed
WO-2004110994-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS PFIZER PRODUCTS INC. (US) 2004-12-23 WO claimed
US-7101885-B2 1-(4-Bromo-phenyl)-3-[2-(4-methyl-piperazin-1-yl)-pyridin-3-yloxy]-pyrrolidin-2-one; antagonists of the serotonin 5HT1B receptor; treating depression PFIZER INC (US) 2006-09-05 US disclosed
US-20040266781-A1 Novel piperazinyl-aryloxy and piperazinyl-heteroaryloxy-n-aryl lactams PFIZER INC 2004-12-30 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-20040266781-A1 Novel piperazinyl-aryloxy and piperazinyl-heteroaryloxy-n-aryl lactams OPRD1, HTR5A, PTGDR LMNA 417/4885MAPT 2883/4885EGLN1 1585/4885

“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.