SCHEMBL3080702

SCHEMBL3080702

O=C(S)N1CCN(Cc2cccc(F)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.46
CXCR4 P61073 1/20 0.43
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
AURKA O14965 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL3080764 0.87 FAAH (0.50) FAAHCXCR4ALDH1A1KDM4EMAPT
SCHEMBL3080704 0.81 FAAH (0.44) FAAHCXCR4ALDH1A1KDM4EMAPT
SCHEMBL21043995 0.81 FAAH (0.44) FAAHCXCR4ALDH1A1KDM4EDRD2
SCHEMBL30218427 0.81 FAAH (0.44) FAAHCXCR4ALDH1A1KDM4EDRD2
SCHEMBL939757 0.78 CXCR4 (0.53) CXCR4ALDH1A1KDM4EMAPTDRD2
SCHEMBL30218464 0.75 FAAH (0.40) FAAHCXCR4ALDH1A1KDM4EDRD2
SCHEMBL21044060 0.75 FAAH (0.40) FAAHCXCR4ALDH1A1KDM4EDRD2
SCHEMBL3088488 0.75 SMN1; SMN2 (0.54) ALDH1A1KDM4ETSHRMAPK1LMNA
SCHEMBL24306636 0.73 CXCR4 (0.47) CXCR4ALDH1A1DRD2DRD3BCHE
SCHEMBL3096649 0.70 ALDH1A1 (0.66) FAAHALDH1A1KDM4EMAPTTSHR

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 24/4885CXCR4 1097/4885ALDH1A1 614/4885

“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.