SCHEMBL5060366

SCHEMBL5060366

Fc1ccc(CN2CCN(C(F)(F)F)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL8117468 0.86 MAPT (0.67) MAPTKDM4EMAPK1
SCHEMBL10245285 0.84 MAPT (0.53) MAPTKDM4EMAPK1
SCHEMBL19895769 0.83 SIGMAR1 (0.69) KDM4EALDH1A1
SCHEMBL22642436 0.80 MAPT (0.61) MAPTKDM4EMAPK1
SCHEMBL19231628 0.80 KDM4E (0.51) MAPTKDM4EMAPK1
SCHEMBL8725812 0.79 SIGMAR1 (0.75) KDM4E
SCHEMBL5319459 0.78 HRH3 (0.74) MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8744995 0.77 ITGB3 (0.50) KDM4EALDH1A1
SCHEMBL3331268 0.77 MAPT (0.57) MAPTKDM4EMAPK1
SCHEMBL13869588 0.77 ALDH1A1 (0.69) MAPTKDM4EMAPK1ALDH1A1

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-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 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-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 MAPT 2362/4885KDM4E 1071/4885MAPK1 3446/4885

“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.