SCHEMBL3085198

SCHEMBL3085198

O=C(O)N1CCN(Cc2cccc3c2OC(F)(F)O3)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.48
DRD1 P21728 2/20 0.46
DRD2 P14416 1/20 0.46
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
CHRM4 P08173 1/20 0.41
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
CYP2D6 P10635 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.39
RORC P51449 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
SCHEMBL13148313 0.81 FAAH (0.59) FAAHLMNACYP2D6KMT2A
SCHEMBL211923 0.79 FAAH (0.72) FAAHDRD2KDM4EALDH1A1LMNA
SCHEMBL27237954 0.78 HTR1A (0.48) DRD2KDM4EALDH1A1CHRM4FFAR4
SCHEMBL2592454 0.74 FAAH (0.71) FAAHKDM4EALDH1A1LMNAKCNH2
SCHEMBL5323473 0.74 RORC (0.44) KDM4EFFAR4RORC
SCHEMBL6540247 0.72 DRD2 (0.41) FAAHDRD1DRD2LMNAJAK2
SCHEMBL27142823 0.70 ADORA2A (0.50) ALDH1A1CHRM4FFAR4CYP2D6MEN1
SCHEMBL2931365 0.70 ALDH1A1 (0.53) FAAHKDM4EALDH1A1LMNAMEN1
SCHEMBL7651499 0.70 MPO (0.41) DRD1DRD2JAK2JAK1FFAR4
SCHEMBL2663368 0.70 MPO (0.41) DRD1DRD2JAK2JAK1FFAR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS FAAH 24/4885DRD1 845/4885DRD2 531/4885

“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.