SCHEMBL3320368

SCHEMBL3320368

CC(C)(CC(=O)N1CCC(c2ccccc2)CC1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
NAMPT P43490 1/20 0.51
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
KCNH2 Q12809 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ADAMTS5 Q9UNA0 3/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
BACE1 P56817 1/20 0.43
PARP1 P09874 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
SCHEMBL3320854 0.87 NAMPT (0.52) CYP3A4CYP2C9NAMPTALDH1A1ADAMTS5
SCHEMBL27559663 0.85 CYP3A4 (0.54) CYP3A4CYP2C9NAMPTALDH1A1POLB
SCHEMBL4956144 0.82 ALDH1A1 (0.58) CYP2C9ALDH1A1HRH3KCNH2RAB9A
SCHEMBL3317717 0.82 KMT2A (0.55) ALDH1A1HRH3KCNH2LMNAPARP1
SCHEMBL4034093 0.78 ALDH1A1 (0.57) NAMPTALDH1A1POLBHRH3KCNH2
SCHEMBL3323023 0.78 DRD4 (0.53)
SCHEMBL4958555 0.76 ALDH1A1 (0.53) ALDH1A1LMNARAB9A
SCHEMBL17787758 0.76 ALDH1A1 (0.59) CYP3A4CYP2C9ALDH1A1POLBHRH3
SCHEMBL5490962 0.76 KCNH2 (0.56) ALDH1A1POLBHRH3KCNH2CA12
SCHEMBL6135913 0.76 LMNA (0.56) ALDH1A1POLBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 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-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 CYP3A4 1204/4885CYP2C9 1009/4885NAMPT 3553/4885

“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.