SCHEMBL3080764

SCHEMBL3080764

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.50
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 7/20 0.45
CXCR4 P61073 1/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 3/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL3080702 0.87 FAAH (0.46) FAAHALDH1A1KDM4ECXCR4TSHR
SCHEMBL21043995 0.85 FAAH (0.44) FAAHALDH1A1KDM4ECXCR4LMNA
SCHEMBL30218427 0.85 FAAH (0.44) FAAHALDH1A1KDM4ECXCR4LMNA
SCHEMBL3080704 0.85 FAAH (0.44) FAAHALDH1A1KDM4ECXCR4TSHR
SCHEMBL939757 0.79 CXCR4 (0.53) ALDH1A1KDM4ECXCR4MAPTSMN1; SMN2
SCHEMBL30218464 0.79 FAAH (0.40) FAAHALDH1A1KDM4ECXCR4LMNA
SCHEMBL21044060 0.79 FAAH (0.40) FAAHALDH1A1KDM4ECXCR4LMNA
SCHEMBL2930129 0.76 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRMAPK1MAPT
SCHEMBL3592480 0.75 FAAH (0.74) FAAHKMT2AMEN1
SCHEMBL24306636 0.74 CXCR4 (0.47) ALDH1A1CXCR4LMNAKMT2AMEN1

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 24/4885ALDH1A1 614/4885KDM4E 3580/4885

“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.