SCHEMBL2534765

SCHEMBL2534765

O=C(O)Cn1cncc1CCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.57
▸ CYP11B2 P19099 6/20 0.57
▸ HDAC3 O15379 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ MAPT P10636 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NOS1 P29475 3/20 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
SCHEMBL2531890 0.83 CYP11B1 (0.52) CYP11B1CYP11B2SMN1; SMN2TBXAS1
SCHEMBL9092962 0.78 CYP11B1 (0.72) CYP11B1CYP11B2HDAC3MAPK1ADRA1A
SCHEMBL2532821 0.76 CYP11B1 (0.50) CYP11B1CYP11B2
SCHEMBL9092547 0.75 CYP11B1 (0.73) CYP11B1CYP11B2TBXAS1KEAP1
SCHEMBL6928442 0.73 CYP11B1 (0.56) CYP11B1CYP11B2MAPK1HDAC6
SCHEMBL8862697 0.72 CYP11B1 (0.51) CYP11B1CYP11B2MAPK1HDAC6
Hydrochloric Acid SCHEMBL25311465 0.71 CYP11B1 (0.38) CYP11B1CYP11B2HDAC6MAPTPTGS2
SCHEMBL2789150 0.71 CYP11B1 (0.61) CYP11B1CYP11B2
SCHEMBL5324373 0.70 CYP11B1 (0.60) CYP11B1CYP11B2SMN1; SMN2PTGS2
SCHEMBL531371 0.70 CYP11B1 (0.73) CYP11B1CYP11B2

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
EP-2382223-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS Novartis AG (CH) 2011-11-02 — — EP disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
WO-2010076258-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2010-07-08 — — 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-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS PTEN, INPP5D, PPIP5K2 CYP11B1 2146/4885CYP11B2 2431/4885HDAC3 2005/4885

“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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