SCHEMBL5761872

SCHEMBL5761872

CN1CCN(c2cccnc2OC2CCN(c3ccc(-c4cccnc4)cc3)C2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.50
ROCK2 O75116 2/20 0.43
FPR1 P21462 2/20 0.42
FPR2 P25090 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CLK4 Q9HAZ1 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL5763136 0.92 MCHR1 (0.47) MCHR1ROCK2CYP1A2
SCHEMBL5763921 0.89 MCHR1 (0.50) MCHR1ROCK2FPR1FPR2ALDH1A1
SCHEMBL5844743 0.84 KMT2A (0.38) MCHR1ROCK2CYP3A4CYP2D6MEN1
SCHEMBL5847052 0.84 P2RY1 (0.40) MCHR1ROCK2FPR2TSHRMEN1
SCHEMBL5846345 0.82 EGLN1 (0.39) MCHR1ROCK2
SCHEMBL5845894 0.82 KDM4E (0.41) ROCK2FPR1FPR2TSHRMEN1
SCHEMBL5762922 0.79 MCHR1 (0.47) MCHR1ROCK2CYP1A2
SCHEMBL5847025 0.79 MCHR1 (0.48) MCHR1ROCK2CYP1A2
SCHEMBL5757964 0.77 MCHR1 (0.38) MCHR1
SCHEMBL5846685 0.75 ALDH1A1 (0.42) MCHR1ALDH1A1CYP1A2CYP3A4CYP2D6

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 3762/4885FPR1 387/4885

“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.