SCHEMBL5521114

SCHEMBL5521114

O=C(NC[C@]1(O)CC[C@H](CCOc2ccc(F)cc2)CC1)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.45
SLC6A5 Q9Y345 1/20 0.42
GABRA5 P31644 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
MIF P14174 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
SCHEMBL5521120 1.00 CHRM4 (0.45) CHRM4SLC6A5GABRA5ALDH1A1RAB9A
SCHEMBL5521118 1.00 CHRM4 (0.45) CHRM4SLC6A5GABRA5ALDH1A1RAB9A
SCHEMBL5521966 0.89 CHRM4 (0.47) CHRM4ALDH1A1RAB9AITGB3ITGA2B
SCHEMBL5521960 0.89 CHRM4 (0.47) CHRM4ALDH1A1RAB9AITGB3ITGA2B
SCHEMBL5521965 0.89 CHRM4 (0.47) CHRM4ALDH1A1RAB9AITGB3ITGA2B
SCHEMBL5519321 0.89 PARP15 (0.46) CHRM4GABRA5L3MBTL1MIF
SCHEMBL5519325 0.89 PARP15 (0.46) CHRM4GABRA5L3MBTL1MIF
SCHEMBL5519327 0.89 PARP15 (0.46) CHRM4GABRA5L3MBTL1MIF
SCHEMBL5517673 0.88 SLC6A3 (0.46) CHRM4
SCHEMBL5517668 0.88 SLC6A3 (0.46) CHRM4

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 7 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
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO 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 CHRM4 1218/4885SLC6A5 654/4885GABRA5 35/4885

“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.