SCHEMBL5520705

SCHEMBL5520705

O=C(NC[C@]1(O)CC[C@@H](COc2cccc(Cl)c2)CC1)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
P2RX7 Q99572 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
SLC6A5 Q9Y345 1/20 0.40
CHRM4 P08173 1/20 0.40
SCN9A Q15858 1/20 0.40
TP53 P04637 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL5520711 1.00 CNR2 (0.44) CNR2NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL5520702 1.00 CNR2 (0.44) CNR2NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL5515591 0.88 POLB (0.49) CNR2NR1H4TP53KDM1A
SCHEMBL5515584 0.88 POLB (0.49) CNR2NR1H4TP53KDM1A
SCHEMBL5527587 0.88 LMNA (0.48) CNR2
SCHEMBL5526202 0.88 SLC6A3 (0.45) CNR2NR1H4CHRM4
SCHEMBL5527593 0.88 LMNA (0.48) CNR2
SCHEMBL5526205 0.88 SLC6A3 (0.45) CNR2NR1H4CHRM4
SCHEMBL5515587 0.88 POLB (0.49) CNR2NR1H4TP53KDM1A
SCHEMBL5527590 0.88 LMNA (0.48) CNR2

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 6 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
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 CNR2 138/4885NPC1 1340/4885CYP1A2 3205/4885

“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.