SCHEMBL6904260

SCHEMBL6904260

CC(C)C(C(N)=O)(c1ccccc1)N1C(=O)C(N)CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.39
MME P08473 2/20 0.38
AADAT Q8N5Z0 2/20 0.38
GOT1 P17174 1/20 0.38
KYAT1 Q16773 1/20 0.38
KYAT3 Q6YP21 1/20 0.38
XIAP P98170 5/20 0.37
SCN9A Q15858 2/20 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
SCHEMBL6906918 0.81 AADAT (0.36) AADATGOT1KYAT1KYAT3
SCHEMBL8081919 0.76 NPY1R (0.51)
SCHEMBL7753002 0.74 CCKBR (0.37) XIAP
SCHEMBL8081902 0.74 KMT2A (0.37)
SCHEMBL8783598 0.73 ACE (0.44) ACEMME
SCHEMBL8837676 0.72 ACE (0.43) ACEMMEAADATGOT1KYAT1
Hydrochloric Acid SCHEMBL7487323 0.72 ACE (0.43) ACEMMEAADATGOT1KYAT1
SCHEMBL8795891 0.71 GABRP (0.55)
SCHEMBL7541608 0.70 SCN9A (0.46) SCN9A
SCHEMBL8808190 0.69 MAPT (0.43) XIAP

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-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2004-01-01 US claimed
US-6096885-A EXHIBIT AGONIST ACTIVITY FOR CCK-A RECEPTORS THEREBY ENABLING THEM TO MODULATE THE HORMONES GASTRIN AND CHOLECYSTOKININ IN MAMMALS. GLAXO WELLCOME INC. (US) 2000-08-01 US disclosed
EP-0785944-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1997-07-30 EP disclosed
WO-1996011940-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1996-04-25 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-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 ACE 525/4885MME 1705/4885AADAT 2041/4885

“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.