SCHEMBL5237290

SCHEMBL5237290

CC(C)Oc1ccc(N2CCCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.58
HTR3E A5X5Y0 2/20 0.58
HTR3B O95264 2/20 0.58
HTR3A P46098 2/20 0.58
HTR3D Q70Z44 2/20 0.58
HTR3C Q8WXA8 2/20 0.58
SIGMAR1 Q99720 2/20 0.58
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LTA4H P09960 4/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CHRNB2 P17787 5/20 0.50
CHRNA4 P43681 5/20 0.50
USP8 P40818 1/20 0.47
TGFBR1 P36897 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
SCHEMBL4515500 0.94 ADRB1 (0.66) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL15703247 0.92 ADRB1 (0.64) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL20000542 0.85 MAPT (0.66) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL25493027 0.84 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5237992 0.82 ADRB1 (0.86) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6355771 0.81 CHRNB2 (0.73) CHRNB2CHRNA4
SCHEMBL5740819 0.81 ADRB1 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27416572 0.81 ADRB1 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15247189 0.79 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5238114 0.78 ADRB1 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 ADRB1 241/4885HTR3E 4205/4885HTR3B 2793/4885

“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.