SCHEMBL3323017

SCHEMBL3323017

CC(C)([CH]C(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
DRD4 P21917 8/20 0.50
DRD2 P14416 7/20 0.50
DRD3 P35462 4/20 0.50
USP30 Q70CQ3 7/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CPT2 P23786 1/20 0.41
CPT1A P50416 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
SCHEMBL5647831 0.87 IL2 (0.46) HTTDRD4DRD2DRD3MEN1
SCHEMBL3319800 0.84 MAPT (0.52) HTTUSP30MEN1KMT2A
SCHEMBL3323023 0.82 DRD4 (0.53) HTTDRD4DRD2DRD3USP30
SCHEMBL1653301 0.79 HTT (0.79) HTTDRD4DRD2DRD3USP30
SCHEMBL3320367 0.78 HRH3 (0.48)
SCHEMBL5468773 0.76 DRD4 (0.61) HTTDRD4DRD2DRD3USP30
SCHEMBL27812289 0.75 HTT (0.56) HTTDRD4DRD2DRD3USP30
SCHEMBL6255441 0.74 DRD4 (0.56) HTTDRD4DRD2DRD3USP30
SCHEMBL2374222 0.71 DRD4 (0.67) DRD4DRD2DRD3USP30MEN1
SCHEMBL3317713 0.71 KMT2A (0.55) MEN1KMT2A

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 5 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-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 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 (3 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 HTT 3284/4885DRD4 1978/4885DRD2 1689/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 HTT 2332/4885DRD4 494/4885DRD2 547/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES HTT 2380/4885DRD4 2462/4885DRD2 2326/4885

“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.