SCHEMBL2431092

SCHEMBL2431092

CC(C)Nc1cc(C(=O)O)ccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.52
BCL2L1 Q07817 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
NEU3 Q9UQ49 2/20 0.42
ACE2 Q9BYF1 2/20 0.42
TOP2A P11388 1/20 0.41
KDM4E B2RXH2 4/20 0.40
GAA P10253 4/20 0.40
THRB P10828 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
GFER P55789 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.40
RCE1 Q9Y256 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
PLEC Q15149 1/20 0.40

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
SCHEMBL2429514 0.91 HCAR3 (0.55) HCAR3BCL2L1MAPTALDH1A1NEU3
SCHEMBL2428418 0.91 HCAR3 (0.55) HCAR3BCL2L1MAPTALDH1A1NEU3
SCHEMBL2422623 0.91 HCAR3 (0.55) HCAR3BCL2L1MAPTALDH1A1NEU3
SCHEMBL22097623 0.88 HCAR3 (0.56) HCAR3BCL2L1MAPTALDH1A1ACE2
SCHEMBL2427290 0.86 HCAR3 (0.56) HCAR3MAPTALDH1A1NEU3ACE2
SCHEMBL2427539 0.86 HCAR3 (0.56) HCAR3MAPTALDH1A1NEU3ACE2
SCHEMBL2426360 0.86 HCAR3 (0.56) HCAR3MAPTALDH1A1NEU3ACE2
SCHEMBL2422799 0.85 JAK2 (0.41) HCAR3MAPTALDH1A1NEU3ACE2
SCHEMBL2429673 0.83 HCAR3 (0.56) HCAR3MAPTALDH1A1NEU3KDM4E
SCHEMBL2425185 0.83 LDHA (0.41) HCAR3MAPTALDH1A1NEU3ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 HCAR3 1036/4885BCL2L1 1426/4885MAPT 586/4885

“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.