SCHEMBL5753703

SCHEMBL5753703

CSc1cccc(Oc2ncccc2C(=O)N[C@H]2CC[C@@H](NC(C)=O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
CNR2 P34972 4/20 0.47
CNR1 P21554 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 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
SCHEMBL5753712 1.00 RAB9A (0.47) RAB9APDE4BPDE4DCNR2CNR1
SCHEMBL8319888 0.91 RAB9A (0.47) RAB9APDE4BPDE4DCNR2CNR1
SCHEMBL5750322 0.91 RAB9A (0.59) RAB9ACNR2CNR1ALDH1A1MEN1
SCHEMBL5840316 0.90 CNR2 (0.48) RAB9APDE4BPDE4DCNR2CNR1
Hydrochloric Acid SCHEMBL5751702 0.90 RAB9A (0.46) RAB9APDE4BPDE4DCNR2CNR1
Hydrochloric Acid SCHEMBL5751698 0.90 RAB9A (0.46) RAB9APDE4BPDE4DCNR2CNR1
SCHEMBL5841455 0.89 RAB9A (0.49) RAB9APDE4BPDE4DCNR2CNR1
SCHEMBL5781437 0.88 CNR2 (0.46) RAB9APDE4BPDE4DCNR2CNR1
SCHEMBL5781444 0.88 CNR2 (0.46) RAB9APDE4BPDE4DCNR2CNR1
SCHEMBL5840651 0.88 PDE4B (0.44) RAB9APDE4BPDE4DCNR2CNR1

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-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 US disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A RAB9A 1016/4885PDE4B 8/4885PDE4D 72/4885

“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.