SCHEMBL12988397

SCHEMBL12988397

Cc1cc(C(=O)N(C(C)C)C(C)C)n(C(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 3/20 0.49
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 3/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
APAF1 O14727 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
AURKA O14965 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
LTK P29376 1/20 0.32
CSNK1A1 P48729 1/20 0.32

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
SCHEMBL13035714 0.86 GAA (0.48) GAATDP1ATMALDH1A1L3MBTL1
SCHEMBL12293398 0.82 ALDH1A1 (0.52) GAATDP1ATMALDH1A1L3MBTL1
SCHEMBL12084321 0.81 ALDH1A1 (0.51) GAATDP1ATMALDH1A1L3MBTL1
SCHEMBL13797533 0.79 ALDH1A1 (0.52) GAATDP1ATMALDH1A1L3MBTL1
SCHEMBL12086355 0.78 ALDH1A1 (0.49) GAATDP1ATMALDH1A1L3MBTL1
SCHEMBL1326795 0.76 ATM (0.56) GAATDP1ATMALDH1A1L3MBTL1
SCHEMBL13807471 0.76 ATM (0.56) GAATDP1ATMALDH1A1L3MBTL1
SCHEMBL12928806 0.76 ATM (0.47) GAATDP1ATMALDH1A1L3MBTL1
SCHEMBL552850 0.75 ATM (0.55) GAATDP1ATMALDH1A1L3MBTL1
SCHEMBL14013805 0.75 ALDH1A1 (0.55) GAATDP1ATMALDH1A1L3MBTL1

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-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 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-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 GAA 3044/4885TDP1 4014/4885ATM 2394/4885

“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.