SCHEMBL3411375

SCHEMBL3411375

O=S(=O)(O)N1CCC2(CCOC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
HDAC2 Q92769 1/20 0.33
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL346463 0.71 CYP2D6 (0.39)
SCHEMBL3410221 0.71 HDAC2 (0.41) CYP11B1CYP11B2HDAC2
SCHEMBL3244130 0.69 POLB (0.51)
SCHEMBL898966 0.69 CA12 (0.62) CA12CA7CA14
SCHEMBL16207447 0.69 CA12 (0.62) CA12CA7CA14
SCHEMBL4110022 0.69 NAMPT (0.39) NAMPTCYP11B1CYP11B2CA12CA7
SCHEMBL18653947 0.69 CYP11B1 (0.37) CYP11B1CYP11B2HDAC2
SCHEMBL20417946 0.69 CYP11B1 (0.37) CYP11B1CYP11B2HDAC2
SCHEMBL357308 0.69 CYP11B1 (0.37) CYP11B1CYP11B2HDAC2
SCHEMBL357309 0.69 CYP11B1 (0.37) CYP11B1CYP11B2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A NAMPT 2203/4885CYP11B1 2157/4885CYP11B2 1422/4885

“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.