SCHEMBL5846345

SCHEMBL5846345

CC(C)Oc1ccc(N2CCC(Oc3ncccc3N3CCN(C)CC3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.39
ROCK2 O75116 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MCHR1 Q99705 7/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ALK Q9UM73 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
SCHEMBL5757964 0.94 MCHR1 (0.38) EGLN1ADRA1DADRA1AADRA1BMCHR1
SCHEMBL5844743 0.89 KMT2A (0.38) ROCK2ADRA1DADRA1AADRA1BMCHR1
SCHEMBL5846949 0.87 PDE10A (0.39) ROCK2MCHR1HDAC8HDAC6GPR119
SCHEMBL5790113 0.86 LMNA (0.40) EGLN1ROCK2MCHR1HDAC8HDAC6
SCHEMBL5763136 0.85 MCHR1 (0.47) ROCK2MCHR1GPR119
SCHEMBL5847052 0.85 P2RY1 (0.40) ROCK2MCHR1
SCHEMBL5845894 0.83 KDM4E (0.41) ROCK2MAPT
SCHEMBL5804389 0.82 MCHR1 (0.45) ROCK2MCHR1
SCHEMBL5761872 0.82 MCHR1 (0.50) ROCK2MCHR1
SCHEMBL5822403 0.78 EGLN1 (0.45) EGLN1ADRA1DADRA1AADRA1BGAA

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 2 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 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 EGLN1 1585/4885ROCK2 3762/4885ADRA1D 80/4885

“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.