SCHEMBL5231016

SCHEMBL5231016

Fc1ccc(N2CCCNCC2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.63
HTR3E A5X5Y0 3/20 0.54
HTR3B O95264 3/20 0.54
HTR3A P46098 3/20 0.54
HTR3D Q70Z44 3/20 0.54
HTR3C Q8WXA8 3/20 0.54
SIGMAR1 Q99720 3/20 0.54
CHRNB2 P17787 5/20 0.54
CHRNA4 P43681 5/20 0.54
CHRNA1 P02708 1/20 0.54
CHRNA7 P36544 1/20 0.54
HTR6 P50406 2/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
CYP2D6 P10635 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL232655 0.94 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4897454 0.92 ADRB1 (0.69) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5231793 0.85 CHRNB2 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL23843625 0.85 ABCG2 (0.48) ADRB1
SCHEMBL25596780 0.83 DRD2 (0.50) ADRB1HTT
SCHEMBL21533600 0.83 ADRB1 (0.65) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5235956 0.81 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1186845 0.80 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30609657 0.80 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1779990 0.80 CYP2D6 (0.55) 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.