SCHEMBL5841315

SCHEMBL5841315

N[C@H]1CC[C@@H](NC(=O)c2cc(F)cnc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 14/20 0.52
HPGD P15428 2/20 0.50
PBK Q96KB5 1/20 0.44
CRHR1 P34998 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL5841319 1.00 SMYD3 (0.52) SMYD3HPGDPBKCRHR1NPC1
Hydrochloric Acid SCHEMBL6063550 0.99 SMYD3 (0.51) SMYD3HPGDPBKCRHR1NPC1
SCHEMBL5778937 0.88 HPGD (0.51) HPGDCRHR1NPC1RAB9ASMN1; SMN2
SCHEMBL5778940 0.88 HPGD (0.51) HPGDCRHR1NPC1RAB9ASMN1; SMN2
SCHEMBL8353042 0.88 HPGD (0.51) SMYD3HPGDCRHR1NPC1RAB9A
SCHEMBL8352231 0.87 HPGD (0.50) HPGDCRHR1NPC1RAB9ASMN1; SMN2
SCHEMBL3174715 0.86 NPC1 (0.58) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5819954 0.86 HPGD (0.49) HPGDCRHR1NPC1RAB9ASMN1; SMN2
SCHEMBL8296522 0.85 HPGD (0.48) SMYD3HPGDPBKNPC1RAB9A
SCHEMBL6063963 0.83 HPGD (0.46) HPGDCRHR1NPC1RAB9ASMN1; 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
US-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US 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 SMYD3 2801/4885HPGD 170/4885PBK 4876/4885

“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.