SCHEMBL5778940

SCHEMBL5778940

O=C(NC1CCC(O)CC1)c1cc(F)cnc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
BMPR1B O00238 2/20 0.45
BMPR1A P36894 2/20 0.45
TGFBR1 P36897 2/20 0.45
ACVRL1 P37023 2/20 0.45
ACVR1 Q04771 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CRHR1 P34998 3/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
NTRK1 P04629 5/20 0.43
JAK2 O60674 3/20 0.43
MAP4K4 O95819 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
JAK1 P23458 1/20 0.41

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
SCHEMBL5778937 1.00 HPGD (0.51) HPGDBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL8353042 0.89 HPGD (0.51) HPGDNPC1RAB9ASMN1; SMN2CRHR1
SCHEMBL5841319 0.88 SMYD3 (0.52) HPGDNPC1RAB9ASMN1; SMN2CRHR1
SCHEMBL5841315 0.88 SMYD3 (0.52) HPGDNPC1RAB9ASMN1; SMN2CRHR1
SCHEMBL8352231 0.88 HPGD (0.50) HPGDNPC1RAB9ASMN1; SMN2CRHR1
SCHEMBL3174715 0.88 NPC1 (0.58) HPGDNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6063550 0.87 SMYD3 (0.51) HPGDNPC1RAB9ASMN1; SMN2CRHR1
SCHEMBL5819954 0.87 HPGD (0.49) HPGDNPC1RAB9ASMN1; SMN2CRHR1
SCHEMBL8296522 0.86 HPGD (0.48) HPGDNPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL6063963 0.84 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2CRHR1

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 HPGD 170/4885BMPR1B 2941/4885BMPR1A 2104/4885

“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.