SCHEMBL1592002

SCHEMBL1592002

CC(C)(C)OC(=O)N1CCN(c2cc(C(C)(C)O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 17/20 0.57
PRKD2 Q9BZL6 13/20 0.57
ADRB1 P08588 1/20 0.53
SYK P43405 1/20 0.49
TBK1 Q9UHD2 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL7957162 0.92 PRKD1 (0.68) PRKD1PRKD2ADRB1SYKTBK1
SCHEMBL1579532 0.89 PRKD1 (0.61) PRKD1PRKD2ADRB1
SCHEMBL7946234 0.89 PRKD1 (0.60) PRKD1PRKD2ADRB1SYK
SCHEMBL12723496 0.89 PRKD1 (0.58) PRKD1PRKD2ADRB1SYKTBK1
SCHEMBL1592600 0.89 PRKD1 (0.58) PRKD1PRKD2ADRB1SYKTBK1
SCHEMBL1580416 0.87 PRKD1 (0.56) PRKD1PRKD2ADRB1SYKTBK1
SCHEMBL1592040 0.87 PRKD1 (0.63) PRKD1PRKD2ADRB1SYKTBK1
SCHEMBL12701013 0.87 PRKD1 (0.56) PRKD1PRKD2ADRB1SYKTBK1
SCHEMBL1579731 0.87 PRKD1 (0.56) PRKD1PRKD2ADRB1SYKTBK1
SCHEMBL1580476 0.87 PRKD1 (0.76) PRKD1PRKD2ADRB1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 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-20110092505-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 PRKD1 4750/4885PRKD2 4659/4885ADRB1 880/4885

“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.