SCHEMBL3936972

SCHEMBL3936972

CCCCNC(=O)[C@H](C[C@@H](O)[CH]Cc1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.47
NAAA Q02083 2/20 0.44
MMP8 P22894 2/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
PAX8 Q06710 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TLR2 O60603 1/20 0.41
CYP1A2 P05177 1/20 0.40
KCNA3 P22001 1/20 0.40
KDM4A O75164 1/20 0.40

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
SCHEMBL4040963 1.00 REN (0.47) RENNAAAMMP8HPGDLMNA
SCHEMBL4047233 0.90 CHRND (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5730463 0.90 REN (0.41) RENNAAA
SCHEMBL4038910 0.88 CHRND (0.48) REN
SCHEMBL4037775 0.86 REN (0.49) REN
SCHEMBL4043492 0.85 VNN1 (0.39) RENMMP8
SCHEMBL4039170 0.85 HPGD (0.41) MMP8HPGDLMNAALDH1A1
SCHEMBL4044987 0.84 MMP8 (0.51) MMP8KMT2AALDH1A1
SCHEMBL4041195 0.82 MMP1 (0.41) RENMMP8
SCHEMBL4039656 0.79 HDAC1 (0.42) LMNAALDH1A1

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-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
WO-2009013293-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-01-29 WO disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 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-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE REN 717/4885NAAA 477/4885MMP8 4741/4885

“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.