SCHEMBL5763103

SCHEMBL5763103

CN1CCN(c2ncccc2OC2CCN(c3ccc(N4CCCC4=O)cc3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
ROCK2 O75116 2/20 0.37
IDH1 O75874 1/20 0.37
CHIA Q9BZP6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HPGDS O60760 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35

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
SCHEMBL5759635 0.97 HPGD (0.40) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL5760136 0.87 ROCK2 (0.51) MAPTROCK2CHIA
SCHEMBL5759920 0.85 TRPV1 (0.42) ROCK2CHIA
SCHEMBL5762922 0.85 MCHR1 (0.47) KDM4EROCK2CHIARAB9A
SCHEMBL5761129 0.84 MCHR1 (0.45)
SCHEMBL5759972 0.84 KDM4E (0.55) HPGDKDM4EMAPTMEN1KMT2A
SCHEMBL5790113 0.83 LMNA (0.40) MAPTROCK2CHIA
SCHEMBL5790448 0.83 ROCK2 (0.37) KDM4EMAPTROCK2CHIA
SCHEMBL5846685 0.83 ALDH1A1 (0.42) KMT2ATSHRCHIAALDH1A1
SCHEMBL5845894 0.83 KDM4E (0.41) HPGDKDM4EMAPTMEN1KMT2A

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

“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.