SCHEMBL5900951

SCHEMBL5900951

Cc1cccc(N2CC(CC3OCCO3)(c3ccc(F)c(F)c3)CCC2=O)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
P2RX7 Q99572 2/20 0.34
GRIN2B Q13224 1/20 0.34
GRM4 Q14833 1/20 0.32
GRM5 P41594 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
NPY5R Q15761 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30

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
SCHEMBL5901120 0.87 TACR1 (0.40) RECQLSLC6A4SLC6A3
SCHEMBL5901190 0.79 RECQL (0.36) RECQLGRM4
SCHEMBL5900869 0.79 TACR1 (0.53)
SCHEMBL5900878 0.77 TACR1 (0.51) GRIN2B
SCHEMBL5901113 0.76 TACR1 (0.37) SLC6A4SLC6A3
SCHEMBL6984627 0.73 TACR1 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL6984751 0.73 TACR1 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL5901167 0.72 TACR1 (0.40)
SCHEMBL8151791 0.69 SLC6A3 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL5900846 0.69 SLC6A3 (0.37) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060836-B2 Lactams as tachykinin antagonists PFIZER, INC (US) 2006-06-13 US disclosed
US-20040132710-A1 Lactams as tachkinin antagonists PFIZER INC. 2004-07-08 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-20040132710-A1 Lactams as tachkinin antagonists PROKR1, TACR2, TACR1 RECQL 3262/4885P2RX7 1996/4885GRIN2B 303/4885

“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.