SCHEMBL8082710

SCHEMBL8082710

CC(C)c1ccc(N2CCC2C)nc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.38
▸ LCAT P04180 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ PANK3 Q9H999 7/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ HPGDS O60760 2/20 0.34
▸ HPGD P15428 1/20 0.33
▸ OGA O60502 1/20 0.33
▸ SMPD3 Q9NY59 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ MAPT P10636 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
SCHEMBL17693898 0.91 SMPD3 (0.42) ACACBCHRM4SMPD3
SCHEMBL14349206 0.91 SMPD3 (0.42) ACACBCHRM4SMPD3
SCHEMBL17693901 0.91 SMPD3 (0.42) ACACBCHRM4SMPD3
SCHEMBL23023563 0.81 ATR (0.43) ACACB
SCHEMBL16089777 0.78 SYK (0.43) ACACBLCATPANK3EGLN1
SCHEMBL10141629 0.77 MAPT (0.55) ACACBLCATMCOLN3PANK3HPGD
SCHEMBL10141630 0.75 MAPT (0.46) ACACBLCATMCOLN3SMPD3MAPT
SCHEMBL17693899 0.75 MAPT (0.46) ACACBLCATMCOLN3SMPD3MAPT
SCHEMBL17693896 0.75 MAPT (0.46) ACACBLCATMCOLN3SMPD3MAPT
SCHEMBL15247289 0.74 LCAT (0.46) ACACBLCATPANK3OGAMAPT

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-8883833-B2 Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-11-11 — — US disclosed
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2012-08-16 — — US disclosed
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-21 — — US disclosed
US-20090130076-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-21 — — 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 (3 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-20090130076-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A ACACB 2835/4885LCAT 2581/4885MCOLN3 3835/4885
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4B, PDE4A, PDE3B ACACB 2688/4885LCAT 1987/4885MCOLN3 4276/4885
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A ACACB 2835/4885LCAT 2581/4885MCOLN3 3835/4885

“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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