SCHEMBL5790143

SCHEMBL5790143

CN1CCN(c2ncccc2OC2CCN(c3ccc(-c4ccon4)cc3)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
MCHR1 Q99705 11/20 0.38
P2RX3 P56373 8/20 0.37

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
SCHEMBL5762922 0.85 MCHR1 (0.47) ROCK2MCHR1
SCHEMBL5762196 0.85 CHRNA7 (0.39) ROCK2MCHR1P2RX3
SCHEMBL5846130 0.84 POLB (0.39) ROCK2MCHR1P2RX3
SCHEMBL5762169 0.84 MCHR1 (0.38) ROCK2MCHR1
SCHEMBL5759920 0.83 TRPV1 (0.42) ROCK2MCHR1
SCHEMBL5760136 0.83 ROCK2 (0.51) ROCK2MCHR1
SCHEMBL5761129 0.82 MCHR1 (0.45) MCHR1
SCHEMBL5762721 0.81 MCHR1 (0.48) ROCK2MCHR1
SCHEMBL5761733 0.81 ELANE (0.37) ROCK2MCHR1
SCHEMBL5763103 0.81 HPGD (0.43) ROCK2

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 8 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
EP-1638932-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20040266781-A1 Novel piperazinyl-aryloxy and piperazinyl-heteroaryloxy-n-aryl lactams PFIZER INC 2004-12-30 US disclosed
WO-2004110994-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS PFIZER PRODUCTS INC. (US) 2004-12-23 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-20040266781-A1 Novel piperazinyl-aryloxy and piperazinyl-heteroaryloxy-n-aryl lactams OPRD1, HTR5A, PTGDR ROCK2 3762/4885MCHR1 646/4885P2RX3 846/4885

“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.