SCHEMBL5705109

SCHEMBL5705109

CC(=O)N1CCC(c2cn(Cc3ccc(N)cc3)c3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.50
DRD2 P14416 1/20 0.50
SLC2A1 P11166 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC5A1 P13866 3/20 0.47
SLC5A2 P31639 3/20 0.47
HRH2 P25021 2/20 0.47
BRD4 O60885 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL5705118 0.85 SLC2A1 (0.56) HTR6DRD2SLC2A1HDAC3HDAC1
SCHEMBL27494197 0.79 ALDH1A1 (0.59) HTR6DRD2SLC2A1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6133473 0.78 HTR6 (0.46) HTR6DRD2HDAC3HDAC1HDAC2
SCHEMBL5705019 0.78 PTGDR2 (0.49) HTR6DRD2SLC2A1HDAC3HDAC1
SCHEMBL5937364 0.76 ALDH1A1 (0.57) ALDH1A1KDM4ELMNABRD4POLB
SCHEMBL5344670 0.75 ALDH1A1 (0.49) HTR6DRD2SLC2A1ALDH1A1KDM4E
SCHEMBL14084478 0.74 HTR2A (0.55) HTR6DRD2SLC2A1LMNASMN1; SMN2
SCHEMBL3615414 0.74 SLC2A1 (0.64) SLC2A1ALDH1A1LMNASLC5A1SLC5A2
SCHEMBL20431459 0.74 SLC2A1 (0.57) SLC2A1ALDH1A1SLC5A1SLC5A2HRH2
SCHEMBL6133467 0.74 GPR119 (0.54) SLC2A1HDAC3HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 EP disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 HTR6 1013/4885DRD2 2595/4885SLC2A1 1374/4885

“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.