SCHEMBL5840316

SCHEMBL5840316

CSc1cccc(Oc2ncccc2C(=O)NC2CCC(NC(=O)c3ccccc3O)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
CNR1 P21554 3/20 0.48
RAB9A P51151 2/20 0.46
PDE4B Q07343 3/20 0.46
PDE4D Q08499 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
PDE4A P27815 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5839396 0.91 PDE4B (0.55) CNR2CNR1RAB9APDE4BPDE4D
SCHEMBL5747125 0.91 TAS1R3 (0.50) CNR2CNR1RAB9APDE4BPDE4D
SCHEMBL5753712 0.90 RAB9A (0.47) CNR2CNR1RAB9APDE4BPDE4D
SCHEMBL5753703 0.90 RAB9A (0.47) CNR2CNR1RAB9APDE4BPDE4D
SCHEMBL5841178 0.90 AURKA (0.47) CNR2CNR1RAB9APDE4BPDE4D
SCHEMBL5841455 0.90 RAB9A (0.49) CNR2CNR1RAB9APDE4BPDE4D
SCHEMBL8319888 0.89 RAB9A (0.47) CNR2CNR1RAB9APDE4BPDE4D
SCHEMBL5750322 0.89 RAB9A (0.59) CNR2CNR1RAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5751698 0.89 RAB9A (0.46) CNR2CNR1RAB9APDE4BPDE4D
Hydrochloric Acid SCHEMBL5751702 0.89 RAB9A (0.46) CNR2CNR1RAB9APDE4BPDE4D

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-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US claimed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 US claimed

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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A CNR2 88/4885CNR1 29/4885RAB9A 1016/4885

“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.