SCHEMBL5762686

SCHEMBL5762686

CN1CCN(c2ccccc2OC2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.48
MCHR1 Q99705 11/20 0.46
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
ROCK2 O75116 1/20 0.40

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
Hydrochloric Acid SCHEMBL5808241 0.99 FPR2 (0.47) FPR2MCHR1DRD2DRD3KDM4E
SCHEMBL5759864 0.95 FPR2 (0.50) FPR2MCHR1DRD2DRD3KDM4E
SCHEMBL5789643 0.87 FPR2 (0.44) FPR2MCHR1KDM4EALDH1A1MAPT
SCHEMBL5761785 0.86 GPR119 (0.48) MCHR1MAPTSMN1; SMN2
SCHEMBL5763072 0.86 ROCK2 (0.55) FPR2MCHR1DRD2DRD3KDM4E
SCHEMBL5761129 0.84 MCHR1 (0.45) FPR2MCHR1
SCHEMBL5759972 0.83 KDM4E (0.55) MCHR1DRD2DRD3KDM4EALDH1A1
SCHEMBL5762942 0.81 ROCK2 (0.49) MCHR1DRD2DRD3KDM4EMAPT
SCHEMBL5760906 0.80 KDM4E (0.52) DRD2DRD3KDM4EMAPTSMN1; SMN2
SCHEMBL5158579 0.79 FPR2 (0.46) FPR2DRD2DRD3MAPTHTR1A

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 FPR2 467/4885MCHR1 646/4885DRD2 56/4885

“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.