SCHEMBL5529982

SCHEMBL5529982

O=C(NCC1CCC(Oc2ccc(F)cc2)CC1)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.56
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
MMP13 P45452 1/20 0.47
EPHX2 P34913 4/20 0.46
FAAH O00519 1/20 0.46
KMT2A Q03164 1/20 0.44
MLYCD O95822 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GABRA5 P31644 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5529978 1.00 AR (0.56) ARGRIN1GRIN2BMMP13EPHX2
SCHEMBL5525223 0.88 SMN1; SMN2 (0.52) GRIN1GRIN2BMMP13KMT2AALDH1A1
SCHEMBL5516494 0.88 SMN1; SMN2 (0.47) ARMMP13EPHX2FAAHKMT2A
SCHEMBL5516498 0.88 SMN1; SMN2 (0.47) ARMMP13EPHX2FAAHKMT2A
SCHEMBL5525221 0.88 SMN1; SMN2 (0.52) GRIN1GRIN2BMMP13KMT2AALDH1A1
SCHEMBL5532830 0.86 AR (0.52) ARGRIN1GRIN2BMMP13EPHX2
SCHEMBL5532824 0.86 AR (0.52) ARGRIN1GRIN2BMMP13EPHX2
SCHEMBL8285679 0.85 PARP15 (0.50) ARMMP13GABRA5
SCHEMBL14451499 0.85 PARP15 (0.50) ARMMP13GABRA5
SCHEMBL5522549 0.85 AR (0.54) ARMMP13EPHX2KMT2AGABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US claimed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP claimed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO claimed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A AR 1299/4885GRIN1 1/4885GRIN2B 2/4885

“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.