SCHEMBL3090147

SCHEMBL3090147

N#Cc1ccc(OCC2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.62
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
KCNA5 P22460 1/20 0.46
MGLL Q99685 1/20 0.46
HTR3A P46098 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL15511339 0.87 SIGMAR1 (0.54) SIGMAR1SLC6A4MGLLKCNH2
SCHEMBL15511340 0.87 SIGMAR1 (0.54) SIGMAR1SLC6A4MGLLKCNH2
SCHEMBL12813444 0.85 GRIN2D (0.53) PARP15PARP10PARP2
SCHEMBL796332 0.85 GRIN2D (0.55) PARP15PARP10PARP2
SCHEMBL13519209 0.84 MEN1 (0.56) SIGMAR1
SCHEMBL5207764 0.84 POLB (0.56) PARP15PARP10PARP2
SCHEMBL214491 0.84 PARP15 (0.51) PARP15PARP10PARP2
SCHEMBL4745395 0.84 SIGMAR1 (0.50) SIGMAR1
SCHEMBL20420997 0.83 PARP15 (0.47) PARP15PARP10PARP2
SCHEMBL23754682 0.82 SIGMAR1 (0.62) SIGMAR1SLC6A2SLC6A4SLC6A3

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-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
EP-2148877-A2 INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed
WO-2008141731-A2 INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE AG (DE) 2008-11-27 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-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS FLT4, VEGFA, MKI67 SIGMAR1 3944/4885SLC6A2 4313/4885SLC6A4 4289/4885

“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.