SCHEMBL5763136

SCHEMBL5763136

CN1CCN(c2cccnc2OC2CCN(c3ccc(-c4ccncc4)cc3)C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.47
ROCK2 O75116 2/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2C18 P33260 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
WDR5 P61964 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL5761872 0.92 MCHR1 (0.50) MCHR1ROCK2CYP1A2
SCHEMBL5844743 0.87 KMT2A (0.38) MCHR1ROCK2RAB9A
SCHEMBL5847052 0.87 P2RY1 (0.40) MCHR1ROCK2
SCHEMBL5762922 0.86 MCHR1 (0.47) MCHR1ROCK2CYP1A2CYP2C18CYP2C19
SCHEMBL5847025 0.86 MCHR1 (0.48) MCHR1ROCK2CYP1A2CYP2C18CYP2C19
SCHEMBL5845894 0.85 KDM4E (0.41) ROCK2KDM4E
SCHEMBL5846345 0.85 EGLN1 (0.39) MCHR1ROCK2GPR119
SCHEMBL5763921 0.81 MCHR1 (0.50) MCHR1ROCK2CYP1A2
SCHEMBL5757964 0.80 MCHR1 (0.38) MCHR1
SCHEMBL5804389 0.79 MCHR1 (0.45) MCHR1ROCK2

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 4 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
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 MCHR1 646/4885ROCK2 3762/4885CYP1A2 355/4885

“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.