SCHEMBL5524757

SCHEMBL5524757

COc1cccc(OC[C@H]2CC[C@@H](CNC(=O)O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.53
LMNA P02545 1/20 0.50
FFAR1 O14842 6/20 0.48
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NR1H4 Q96RI1 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46

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
SCHEMBL5524760 1.00 PTGIR (0.53) PTGIRLMNAFFAR1ACACBACACA
SCHEMBL5516232 0.85 PTGIR (0.50) PTGIRNR1H4
SCHEMBL5516229 0.85 PTGIR (0.50) PTGIRNR1H4
SCHEMBL8284726 0.84 PTGIR (0.49) PTGIRLMNASMN1; SMN2
SCHEMBL14451472 0.84 PTGIR (0.49) PTGIRLMNASMN1; SMN2
SCHEMBL8284597 0.83 HPGD (0.56) PTGIRLMNANR1H4MEN1KMT2A
SCHEMBL13798779 0.83 CHRNB4 (0.60) LMNAACACBACACASMN1; SMN2CYP1A2
SCHEMBL30889109 0.83 CHRNB4 (0.60) LMNAACACBACACASMN1; SMN2CYP1A2
SCHEMBL14451328 0.81 ROCK2 (0.52) PTGIRLMNAACACB
SCHEMBL5521777 0.81 ROCK2 (0.52) PTGIRLMNAACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGIR 575/4885LMNA 4506/4885FFAR1 272/4885

“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.