SCHEMBL13935009

SCHEMBL13935009

CB(O)N1CCC(CC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ SLC6A12 P48065 2/20 0.37
▸ SLC6A11 P48066 2/20 0.37
▸ SLC6A13 Q9NSD5 2/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRR1 P24046 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ FFAR4 Q5NUL3 7/20 0.37
▸ ANPEP P15144 1/20 0.36
▸ ENPEP Q07075 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ ITGB3 P05106 5/20 0.35
▸ ITGA2B P08514 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL14091086 0.80 BRD4 (0.41) ALDH1A1POLB
SCHEMBL14577515 0.80 — —
SCHEMBL13308026 0.75 SLC6A1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL805205 0.75 NCF1 (0.48) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL8736233 0.74 NCF1 (0.52) —
SCHEMBL12879228 0.74 LMNA (0.43) GABRA5GABRB2GABRA1GABRA4ALDH1A1
Hydrochloric Acid SCHEMBL6709111 0.74 NCF1 (0.46) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2422675 0.72 EPHX2 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1762876 0.72 SMN1; SMN2 (0.52) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2558996 0.71 NCF1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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-7485645-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2009-02-03 — — US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 — — US disclosed
US-20080004248-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORPORATION 2008-01-03 — — US disclosed
US-7271175-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2007-09-18 — — 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-20080004248-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES HSD17B3, HSD17B1, HSD17B11 SLC6A1 1861/4885GABRA5 1759/4885GABRB2 1259/4885

“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.

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