SCHEMBL2200960

SCHEMBL2200960

C=CCC[C@@H]1CC[C@H](C(=O)OCC)N1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.45
HTR2C P28335 1/20 0.44
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
F2 P00734 3/20 0.39
CTSG P08311 2/20 0.39
AGTR2 P50052 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FKBP1A P62942 1/20 0.39
CYP2C19 P33261 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38

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
SCHEMBL3610882 0.88 SMN1; SMN2 (0.46) ELANEHTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL1604782 0.86 FKBP1A (0.41) ELANEHTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL20328800 0.86 HTR2C (0.50) HTR2CPKMNPSR1SMN1; SMN2NPC1
SCHEMBL13567865 0.86 HTR2C (0.50) HTR2CPKMNPSR1SMN1; SMN2NPC1
SCHEMBL7385942 0.85 HTR2C (0.49) HTR2CPKMNPSR1SMN1; SMN2NPC1
SCHEMBL20296331 0.84 HTR2C (0.56) HTR2CPKMNPSR1SMN1; SMN2NPC1
SCHEMBL18410317 0.84 HTR2C (0.56) HTR2CPKMNPSR1SMN1; SMN2NPC1
SCHEMBL15512907 0.84 ELANE (0.44) ELANEHTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL2207568 0.82 HTR2C (0.46) ELANEHTR2CNPSR1SMN1; SMN2NPC1
SCHEMBL11109029 0.81 HTR2C (0.52) HTR2CPKMNPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US disclosed
WO-2007017069-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-15 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-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 ELANE 2841/4885HTR2C 3603/4885PKM 2477/4885

“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.