SCHEMBL5760906

SCHEMBL5760906

CN1CCN(c2ccccc2OC2CCCN(c3ccc(N4CCCC4=O)cc3)C2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
TP53 P04637 2/20 0.41
GFER P55789 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
SLC9A3 P48764 1/20 0.38
AKR1C3 P42330 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
SCHEMBL5759972 0.97 KDM4E (0.55) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL5762942 0.88 ROCK2 (0.49) KDM4EMAPTDRD2DRD3
SCHEMBL5789643 0.88 FPR2 (0.44) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL5759864 0.86 FPR2 (0.50) KDM4EMAPTDRD2DRD3SMN1; SMN2
SCHEMBL5761228 0.85 DRD2 (0.40) KDM4EMAPTDRD2DRD3SLC9A3
SCHEMBL5763072 0.83 ROCK2 (0.55) KDM4EMAPTDRD2DRD3
SCHEMBL5763103 0.81 HPGD (0.43) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL5762686 0.80 FPR2 (0.48) KDM4EMAPTDRD2DRD3SMN1; SMN2
SCHEMBL5845894 0.79 KDM4E (0.41) KDM4EMAPTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL5808241 0.79 FPR2 (0.47) KDM4EMAPTDRD2DRD3SMN1; SMN2

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 KDM4E 2741/4885MAPT 2883/4885MEN1 1676/4885

“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.