SCHEMBL3081900

SCHEMBL3081900

O=C(O)N1CCN(Cc2cc(F)cc(F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.54
FAAH O00519 2/20 0.50
TSHR P16473 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3093924 0.84 FAAH (0.70) GPR183FAAHTSHRCYP2D6CYP2C9
SCHEMBL4757751 0.83 KDM4E (0.51) FAAHTSHRCYP2D6CYP2C9ALOX15
SCHEMBL21391900 0.83 FAAH (0.65) FAAH
SCHEMBL5571317 0.81 LMNA (0.46) FAAHTSHRALOX15KDM4EALDH1A1
SCHEMBL3201236 0.80 FAAH (0.56) FAAH
SCHEMBL2932454 0.79 L3MBTL1 (0.54) GPR183FAAHTSHRKDM4EALDH1A1
SCHEMBL2930604 0.79 USP2 (0.59) FAAHTSHRCYP2D6CYP2C9CYP2C19
SCHEMBL2933405 0.79 ALDH1A1 (0.61) FAAHTSHRKDM4EALDH1A1SIGMAR1
SCHEMBL17005918 0.78 VEGFA (0.61) GPR183FAAHALDH1A1MEN1KMT2A
SCHEMBL4574349 0.78 ALDH1A1 (0.48) KDM4EALDH1A1MEN1LMNAKMT2A

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 GPR183 445/4885FAAH 24/4885TSHR 3399/4885

“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.