SCHEMBL5759972

SCHEMBL5759972

CN1CCN(c2ccccc2OC2CCN(c3ccc(N4CCCC4=O)cc3)C2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
TP53 P04637 2/20 0.42
ROCK2 O75116 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 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
SCHEMBL5760906 0.97 KDM4E (0.52) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL5789643 0.87 FPR2 (0.44) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL5763072 0.86 ROCK2 (0.55) KDM4EMAPTDRD2DRD3ROCK2
SCHEMBL5762942 0.85 ROCK2 (0.49) KDM4EMAPTDRD2DRD3ROCK2
SCHEMBL5763103 0.84 HPGD (0.43) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL5762686 0.83 FPR2 (0.48) KDM4EMAPTSMN1; SMN2DRD2DRD3
SCHEMBL5759864 0.82 FPR2 (0.50) KDM4EMAPTSMN1; SMN2DRD2DRD3
SCHEMBL5845894 0.82 KDM4E (0.41) KDM4EMAPTHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL5808241 0.82 FPR2 (0.47) KDM4EMAPTSMN1; SMN2DRD2DRD3
SCHEMBL5761228 0.82 DRD2 (0.40) KDM4EMAPTDRD2DRD3ROCK2

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 6 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
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 KDM4E 2741/4885MAPT 2883/4885HPGD 297/4885

“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.