SCHEMBL13308352

SCHEMBL13308352

COCC[C@@H]1NC(=O)CN(Cc2ccccc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.59
HDAC6 Q9UBN7 5/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC8 Q9BY41 4/20 0.56
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
TACR1 P25103 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 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
SCHEMBL14033005 0.87 OPRK1 (0.61) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL10219026 0.85 OPRK1 (0.57) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL1714131 0.85 OPRK1 (0.57) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL19095468 0.85 OPRK1 (0.57) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL876701 0.84 HDAC6 (0.57) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL878014 0.84 HDAC6 (0.57) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL10219033 0.83 OPRK1 (0.55) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL8447778 0.83 OPRK1 (0.55) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL8154689 0.83 OPRK1 (0.55) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL1714279 0.82 OPRK1 (0.59) OPRK1HDAC6HDAC1HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436281-B1 PIPERIDINE- AND PIPERAZINEACETAMIDES AS 17BETA HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2010-06-16 EP disclosed
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-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-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
EP-1572299-B1 17 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2008-09-24 EP 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-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
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 OPRK1 2949/4885HDAC6 806/4885HDAC1 445/4885

“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.