SCHEMBL5744003

SCHEMBL5744003

Oc1ccccc1SCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.38
DDB1 Q16531 1/20 0.38
P4HB P07237 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALOX15 P16050 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
NFKB1 P19838 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
GMNN O75496 1/20 0.35
EGFR P00533 1/20 0.35
CA2 P00918 1/20 0.35
FYN P06241 1/20 0.35
POLB P06746 1/20 0.35
CA3 P07451 1/20 0.35

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
SCHEMBL77546 0.92 KMT2A (0.40) CRBNDDB1ALDH1A1NPC1RAB9A
SCHEMBL80348 0.91 ALDH1A1 (0.43) CRBNDDB1ALDH1A1NPC1RAB9A
SCHEMBL23409781 0.81 NAMPT (0.34) CRBNDDB1NPC1RAB9ASMN1; SMN2
SCHEMBL23409758 0.79 NAMPT (0.36) CRBNDDB1ALDH1A1NPC1RAB9A
SCHEMBL23409856 0.77 DDB1 (0.33) CRBNDDB1P4HBALDH1A1NPC1
SCHEMBL25300103 0.76 MCHR1 (0.41) CRBNNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL68951 0.73 HSPA5 (0.46) P4HBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8397211 0.73 LMNA (0.45) P4HBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1409367 0.73 SLC6A2 (0.38) CRBNPOLBCYP3A4RECQLCTSB
SCHEMBL11205285 0.70 ALOX15 (0.53) P4HBALDH1A1NPC1RAB9ASMN1; SMN2

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
EP-1651635-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
WO-2005009989-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 US 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-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4D CRBN 2243/4885DDB1 3897/4885P4HB 2478/4885

“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.